BAS 00620081
TL;DR: BAS 00620081 (CAS 313479-81-1) is a chemical compound with molecular formula C15H13ClN4O4S and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
Also Known As: BAS 00620081, 2-((7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, F0372-0256, 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid, {[7-(2-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
| Molecular Formula | C15H13ClN4O4S |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 1.3017 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0346 |
| Heavy Atoms | 25 |
| Complexity | 1085.3054 |
Chemical Identifiers
| CAS Number | 313479-81-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3Cl |
Product Overview
BAS 00620081 (CAS 313479-81-1), with molecular formula C15H13ClN4O4S and molecular weight 380.03 g/mol. IUPAC: 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid.
Chemical Property Profile of BAS 00620081
Property Insights of BAS 00620081
The XLogP value of 1.3017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00620081. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620081. Following Lipinski's Rule of Five, BAS 00620081 has 2 hydrogen bond donor(s) and 5 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 BAS 00620081?
The CAS number of BAS 00620081 is 313479-81-1.
What is the molecular formula of BAS 00620081?
The molecular formula of BAS 00620081 is C15H13ClN4O4S.
What is the molecular weight of BAS 00620081?
The molecular weight of BAS 00620081 is 380.03 g/mol.
Where can I buy BAS 00620081?
You can request a quote for BAS 00620081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620081?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.