BAS 00340030
TL;DR: BAS 00340030 (CAS 331235-38-2) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetic acid
Also Known As: BAS 00340030, 2-((3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetic acid, F0017-0898, F0373-0205
| Molecular Formula | C13H18N4O4S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.7902 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1049 |
| Heavy Atoms | 22 |
| Complexity | 804.6986 |
Chemical Identifiers
| CAS Number | 331235-38-2 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00340030 (CAS 331235-38-2), with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol. IUPAC: 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of BAS 00340030
Property Insights of BAS 00340030
The XLogP value of 0.7902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340030. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00340030. Following Lipinski's Rule of Five, BAS 00340030 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 00340030?
The CAS number of BAS 00340030 is 331235-38-2.
What is the molecular formula of BAS 00340030?
The molecular formula of BAS 00340030 is C13H18N4O4S.
What is the molecular weight of BAS 00340030?
The molecular weight of BAS 00340030 is 326.10 g/mol.
Where can I buy BAS 00340030?
You can request a quote for BAS 00340030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340030?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.