BAS 00316182
TL;DR: BAS 00316182 (CAS 313660-79-6) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: BAS 00316182, 2-((1,7-dibenzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, F0017-1824, 2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid, [(1,7-dibenzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.17 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1357.7826 |
Chemical Identifiers
| CAS Number | 313660-79-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC(=O)O)CC4=CC=CC=C4 |
Product Overview
BAS 00316182 (CAS 313660-79-6), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: 2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of BAS 00316182
Property Insights of BAS 00316182
The XLogP value of 2.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00316182. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00316182. Following Lipinski's Rule of Five, BAS 00316182 has 1 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 00316182?
The CAS number of BAS 00316182 is 313660-79-6.
What is the molecular formula of BAS 00316182?
The molecular formula of BAS 00316182 is C22H20N4O4S.
What is the molecular weight of BAS 00316182?
The molecular weight of BAS 00316182 is 436.12 g/mol.
Where can I buy BAS 00316182?
You can request a quote for BAS 00316182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00316182?
Yes, KEHONG BIO provides custom synthesis services for BAS 00316182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.