BAS 00387063
TL;DR: BAS 00387063 (CAS 331666-69-4) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: BAS 00387063, 2-((7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, AB00684219-01, AB00684219-02, 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.5704 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 836.3372 |
Chemical Identifiers
| CAS Number | 331666-69-4 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00387063 (CAS 331666-69-4), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: 2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of BAS 00387063
Property Insights of BAS 00387063
The XLogP value of 1.5704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00387063. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00387063. Following Lipinski's Rule of Five, BAS 00387063 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 00387063?
The CAS number of BAS 00387063 is 331666-69-4.
What is the molecular formula of BAS 00387063?
The molecular formula of BAS 00387063 is C15H22N4O4S.
What is the molecular weight of BAS 00387063?
The molecular weight of BAS 00387063 is 354.14 g/mol.
Where can I buy BAS 00387063?
You can request a quote for BAS 00387063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00387063?
Yes, KEHONG BIO provides custom synthesis services for BAS 00387063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.