ChemDiv2_003573
TL;DR: ChemDiv2_003573 (CAS 330179-43-6) is a chemical compound with molecular formula C20H23ClN4O6S and molecular weight 482.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: ChemDiv2_003573, BAS 00491888, IDI1_002288, AB00684225-01, ethyl 2-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoate
| Molecular Formula | C20H23ClN4O6S |
|---|---|
| Molecular Weight | 482.10 g/mol |
| LogP | 1.5603 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.1027 |
| Heavy Atoms | 32 |
| Complexity | 1219.7836 |
Chemical Identifiers
| CAS Number | 330179-43-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
ChemDiv2_003573 (CAS 330179-43-6), with molecular formula C20H23ClN4O6S and molecular weight 482.10 g/mol. IUPAC: ethyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of ChemDiv2_003573
Property Insights of ChemDiv2_003573
The XLogP value of 1.5603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003573. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003573. Following Lipinski's Rule of Five, ChemDiv2_003573 has 2 hydrogen bond donor(s) and 8 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 ChemDiv2_003573?
The CAS number of ChemDiv2_003573 is 330179-43-6.
What is the molecular formula of ChemDiv2_003573?
The molecular formula of ChemDiv2_003573 is C20H23ClN4O6S.
What is the molecular weight of ChemDiv2_003573?
The molecular weight of ChemDiv2_003573 is 482.10 g/mol.
Where can I buy ChemDiv2_003573?
You can request a quote for ChemDiv2_003573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003573?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.