AB00673533-01
TL;DR: AB00673533-01 (CAS 371206-30-3) is a chemical compound with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: AB00673533-01, F1167-0101, methyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate, methyl 2-((7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, methyl 2-{[7-(2-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoate
| Molecular Formula | C17H17ClN4O4S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 1.7786 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.06592 |
| Heavy Atoms | 27 |
| Complexity | 1134.1443 |
Chemical Identifiers
| CAS Number | 371206-30-3 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
AB00673533-01 (CAS 371206-30-3), with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol. IUPAC: methyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of AB00673533-01
Property Insights of AB00673533-01
The XLogP value of 1.7786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00673533-01. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673533-01. Following Lipinski's Rule of Five, AB00673533-01 has 1 hydrogen bond donor(s) and 6 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 AB00673533-01?
The CAS number of AB00673533-01 is 371206-30-3.
What is the molecular formula of AB00673533-01?
The molecular formula of AB00673533-01 is C17H17ClN4O4S.
What is the molecular weight of AB00673533-01?
The molecular weight of AB00673533-01 is 408.07 g/mol.
Where can I buy AB00673533-01?
You can request a quote for AB00673533-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673533-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673533-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.