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RefChem:1058410 structure
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RefChem:1058410

TL;DR: RefChem:1058410 (CAS 151539-47-8) is a chemical compound with molecular formula C24H32N4O4 and molecular weight 440.24237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

8-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

Also Known As: (E)-8-(3,4-Diethoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-diethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 8-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

CAS Number
151539-47-8
Molecular Formula
C24H32N4O4
Molecular Weight
440.24237 g/mol
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Technical Specifications

Molecular FormulaC24H32N4O4
Molecular Weight440.24237 g/mol
XLogP4.3
Topological Polar Surface Area (TPSA)76.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds10
Exact Mass440.24237 Da
Heavy Atoms32
Complexity672.0
SMILESCCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OCC)OCC)C
InChIKeyMKEUGAORWRCVPS-ACCUITESSA-N

Chemical Property Profile of RefChem:1058410

XLogP
4.3
TPSA (Topological Polar Surface Area)
76.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
32
Complexity
672.0
Exact Mass
440.24237
Monoisotopic Mass
440.24237
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 RefChem:1058410

The XLogP value of 4.3 indicates that RefChem:1058410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058410. Following Lipinski's Rule of Five, RefChem:1058410 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of RefChem:1058410?

The CAS number of RefChem:1058410 is 151539-47-8.

What is the molecular formula of RefChem:1058410?

The molecular formula of RefChem:1058410 is C24H32N4O4.

What is the molecular weight of RefChem:1058410?

The molecular weight of RefChem:1058410 is 440.24237 g/mol.

Where can I buy RefChem:1058410?

You can request a quote for RefChem:1058410 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:1058410?

Yes, CoreyChem provides custom synthesis services for RefChem:1058410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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