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1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione structure
Fine Chemical

1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

TL;DR: 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CAS 846596-21-2) is a chemical compound with molecular formula C24H20ClN3O3S and molecular weight 465.0914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(3-chlorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

Also Known As: 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3-chlorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(3-CHLOROPHENYL)-7-METHYL-2-[5-(2-METHYLPROPYL)-1,3,4-THIADIAZOL-2-YL]-1H,2H,3H,9H-CHROMENO[2,3-C]PYRROLE-3,9-DIONE, 1-(3-chlorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

CAS Number
846596-21-2
Molecular Formula
C24H20ClN3O3S
Molecular Weight
465.0914 g/mol
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Technical Specifications

Molecular FormulaC24H20ClN3O3S
Molecular Weight465.0914 g/mol
XLogP5.4
Topological Polar Surface Area (TPSA)101.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass465.0914 Da
Heavy Atoms32
Complexity805.0
SMILESCC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=NN=C(S4)CC(C)C)C5=CC(=CC=C5)Cl
InChIKeyGBMKYZHCUSAUPK-UHFFFAOYSA-N

Product Description

Applications: AC1N00VG is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N00VG (CAS 846596-21-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

AC1N00VG is a fine chemical identified by CAS number 846596-21-2 and the molecular formula C24H20ClN3O3S and a molecular weight of 465.09 g/mol. It is also known as 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione and 1-(3-chlorophenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-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 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

XLogP
5.4
TPSA (Topological Polar Surface Area)
101.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
32
Complexity
805.0
Exact Mass
465.0914
Monoisotopic Mass
465.0914
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 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

The XLogP value of 5.4 indicates that 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The CAS number of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 846596-21-2.

What is the molecular formula of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The molecular formula of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C24H20ClN3O3S.

What is the molecular weight of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The molecular weight of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is 465.0914 g/mol.

What are the applications of 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

AC1N00VG is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N00VG (CAS 846596-21-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Where can I buy 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

You can request a quote for 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

Yes, CoreyChem provides custom synthesis services for 1-(3-chlorophenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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