3-(6-mercapto-9H-purin-9-yl)propanoic acid
TL;DR: 3-(6-mercapto-9H-purin-9-yl)propanoic acid (CAS 4367-64-0) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid
Also Known As: 6-Mercapto-9H-purin-9-ylpropionsaeure, 3-(6-mercapto-9H-purin-9-yl)propanoic acid, 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid, NCI60_041772, 9H-Purine-9-propanoicacid, 1,6-dihydro-6-thioxo-
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.96359 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 559.01215 |
Chemical Identifiers
| CAS Number | 4367-64-0 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCC(=O)O |
Product Overview
3-(6-mercapto-9H-purin-9-yl)propanoic acid (CAS 4367-64-0), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid.
Chemical Property Profile of 3-(6-mercapto-9H-purin-9-yl)propanoic acid
Property Insights of 3-(6-mercapto-9H-purin-9-yl)propanoic acid
The XLogP value of 0.96359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-mercapto-9H-purin-9-yl)propanoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-mercapto-9H-purin-9-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6-mercapto-9H-purin-9-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 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 3-(6-mercapto-9H-purin-9-yl)propanoic acid?
The CAS number of 3-(6-mercapto-9H-purin-9-yl)propanoic acid is 4367-64-0.
What is the molecular formula of 3-(6-mercapto-9H-purin-9-yl)propanoic acid?
The molecular formula of 3-(6-mercapto-9H-purin-9-yl)propanoic acid is C8H8N4O2S.
What is the molecular weight of 3-(6-mercapto-9H-purin-9-yl)propanoic acid?
The molecular weight of 3-(6-mercapto-9H-purin-9-yl)propanoic acid is 224.04 g/mol.
Where can I buy 3-(6-mercapto-9H-purin-9-yl)propanoic acid?
You can request a quote for 3-(6-mercapto-9H-purin-9-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-mercapto-9H-purin-9-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-mercapto-9H-purin-9-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.