5-(6-mercapto-9H-purin-9-yl)pentanoic acid
TL;DR: 5-(6-mercapto-9H-purin-9-yl)pentanoic acid (CAS 3342-88-9) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid
Also Known As: 5-(6-mercapto-9H-purin-9-yl)pentanoic acid, NCI60_041660, 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid, 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanoic acid
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.74379 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 589.2486 |
Chemical Identifiers
| CAS Number | 3342-88-9 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O |
Product Overview
5-(6-mercapto-9H-purin-9-yl)pentanoic acid (CAS 3342-88-9), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 5-(6-sulfanylidene-3H-purin-9-yl)pentanoic acid.
Chemical Property Profile of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid
Property Insights of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid
The XLogP value of 1.74379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6-mercapto-9H-purin-9-yl)pentanoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6-mercapto-9H-purin-9-yl)pentanoic acid. Following Lipinski's Rule of Five, 5-(6-mercapto-9H-purin-9-yl)pentanoic 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 5-(6-mercapto-9H-purin-9-yl)pentanoic acid?
The CAS number of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid is 3342-88-9.
What is the molecular formula of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid?
The molecular formula of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid is C10H12N4O2S.
What is the molecular weight of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid?
The molecular weight of 5-(6-mercapto-9H-purin-9-yl)pentanoic acid is 252.07 g/mol.
Where can I buy 5-(6-mercapto-9H-purin-9-yl)pentanoic acid?
You can request a quote for 5-(6-mercapto-9H-purin-9-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-mercapto-9H-purin-9-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-mercapto-9H-purin-9-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.