ChemDiv1_001010
TL;DR: ChemDiv1_001010 (CAS 326919-38-4) is a chemical compound with molecular formula C20H24N4O6S and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: ChemDiv1_001010, BAS 00458045, 3-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid, 3-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-((7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid
| Molecular Formula | C20H24N4O6S |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 0.9924 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.14166 |
| Heavy Atoms | 31 |
| Complexity | 1181.3287 |
Chemical Identifiers
| CAS Number | 326919-38-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C)O |
Product Overview
ChemDiv1_001010 (CAS 326919-38-4), with molecular formula C20H24N4O6S and molecular weight 448.14 g/mol. IUPAC: 3-[7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of ChemDiv1_001010
Property Insights of ChemDiv1_001010
The XLogP value of 0.9924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001010. The TPSA of 139.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001010. Following Lipinski's Rule of Five, ChemDiv1_001010 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001010?
The CAS number of ChemDiv1_001010 is 326919-38-4.
What is the molecular formula of ChemDiv1_001010?
The molecular formula of ChemDiv1_001010 is C20H24N4O6S.
What is the molecular weight of ChemDiv1_001010?
The molecular weight of ChemDiv1_001010 is 448.14 g/mol.
Where can I buy ChemDiv1_001010?
You can request a quote for ChemDiv1_001010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001010?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.