AB00673510-01
TL;DR: AB00673510-01 (CAS 377049-79-1) is a chemical compound with molecular formula C22H19ClN4O4S and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: AB00673510-01, AB00673510-02, benzyl 2-((7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, F1167-0024, benzyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
| Molecular Formula | C22H19ClN4O4S |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 2.9605 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.08154 |
| Heavy Atoms | 32 |
| Complexity | 1394.8209 |
Chemical Identifiers
| CAS Number | 377049-79-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4Cl |
Product Overview
AB00673510-01 (CAS 377049-79-1), with molecular formula C22H19ClN4O4S and molecular weight 470.08 g/mol. IUPAC: benzyl 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of AB00673510-01
Property Insights of AB00673510-01
The XLogP value of 2.9605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00673510-01. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673510-01. Following Lipinski's Rule of Five, AB00673510-01 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 AB00673510-01?
The CAS number of AB00673510-01 is 377049-79-1.
What is the molecular formula of AB00673510-01?
The molecular formula of AB00673510-01 is C22H19ClN4O4S.
What is the molecular weight of AB00673510-01?
The molecular weight of AB00673510-01 is 470.08 g/mol.
Where can I buy AB00673510-01?
You can request a quote for AB00673510-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673510-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673510-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.