2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid
TL;DR: 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid (CAS 91338-67-9) is a chemical compound with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-9-butylpurin-6-yl)sulfanylacetic acid
Also Known As: 2-(2-amino-9-butylpurin-6-yl)sulfanylacetic acid, [(2-amino-9-butyl-9h-purin-6-yl)sulfanyl]acetic acid, 9-Butyl-2-amino-6-carboxymethylmercapto-9H-purin, 2-((2-Amino-9-butyl-9H-purin-6-yl)thio)acetic acid, 2-((2-Amino-9-butyl-9H-purin-6-yl)thio)aceticacid
| Molecular Formula | C11H15N5O2S |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.09464 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 91338-67-9 |
|---|---|
| SMILES | CCCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N |
| InChIKey | MJRRPHDUGFVUGU-UHFFFAOYSA-N |
Product Overview
2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid (CAS 91338-67-9), with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol. IUPAC: 2-(2-amino-9-butylpurin-6-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid
Property Insights of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid. Following Lipinski's Rule of Five, 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid has 2 hydrogen bond donor(s) and 7 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 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid?
The CAS number of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid is 91338-67-9.
What is the molecular formula of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid?
The molecular formula of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid is C11H15N5O2S.
What is the molecular weight of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid?
The molecular weight of 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid is 281.09 g/mol.
Where can I buy 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid?
You can request a quote for 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-9-butylpurin-6-yl)sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.