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3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure
Fine Chemical

3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

TL;DR: 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 849028-20-2) is a chemical compound with molecular formula C24H23Cl2N5O2 and molecular weight 483.1229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[(3,4-dichlorophenyl)methyl]-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Also Known As: 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(3,4-dichlorophenyl)methyl]-1,7-dimethyl-9-(4-methylphenyl)-1,3,5-trihydro- 6H,7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, 3-[(3,4-dichlorophenyl)methyl]-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS Number
849028-20-2
Molecular Formula
C24H23Cl2N5O2
Molecular Weight
483.1229 g/mol
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Technical Specifications

Molecular FormulaC24H23Cl2N5O2
Molecular Weight483.1229 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)61.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass483.1229 Da
Heavy Atoms33
Complexity763.0
SMILESCC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C
InChIKeyTYFHDWKYGMCJQS-UHFFFAOYSA-N

Product Description

Applications: AC1N2KI6 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N2KI6 (CAS 849028-20-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

A fine chemical supplied by CoreyChem, AC1N2KI6 (CAS 849028-20-2) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 483.12 g/mol. It is also known as 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione and 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(p-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

XLogP
5.2
TPSA (Topological Polar Surface Area)
61.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
33
Complexity
763.0
Exact Mass
483.1229
Monoisotopic Mass
483.1229
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

The XLogP value of 5.2 indicates that 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

The CAS number of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 849028-20-2.

What is the molecular formula of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

The molecular formula of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C24H23Cl2N5O2.

What is the molecular weight of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

The molecular weight of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 483.1229 g/mol.

What are the applications of 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

AC1N2KI6 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N2KI6 (CAS 849028-20-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Where can I buy 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

You can request a quote for 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?

Yes, CoreyChem provides custom synthesis services for 3-(3,4-dichlorobenzyl)-1,7-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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