BAS 01107477
TL;DR: BAS 01107477 (CAS 303969-87-1) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 01107477, AB01277191-01, 3-{[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid, 3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-((3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 1.34682 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 1079.0664 |
Chemical Identifiers
| CAS Number | 303969-87-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C |
Product Overview
BAS 01107477 (CAS 303969-87-1), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 3-[3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of BAS 01107477
Property Insights of BAS 01107477
The XLogP value of 1.34682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01107477. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107477. Following Lipinski's Rule of Five, BAS 01107477 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 01107477?
The CAS number of BAS 01107477 is 303969-87-1.
What is the molecular formula of BAS 01107477?
The molecular formula of BAS 01107477 is C17H18N4O4S.
What is the molecular weight of BAS 01107477?
The molecular weight of BAS 01107477 is 374.10 g/mol.
Where can I buy BAS 01107477?
You can request a quote for BAS 01107477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107477?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.