![2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid structure](/static/products/6323/632300-63-1.webp)
2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid
TL;DR: 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid (CAS 632300-63-1) is a chemical compound with molecular formula C15H15N5O2S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-9-benzylpurin-8-yl)sulfanylpropanoic acid
Also Known As: 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid, 2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)propanoic acid, 2-(6-amino-9-benzylpurin-8-yl)sulfanylpropanoic acid, 2-[6-amino-9-benzylpurin-8-ylthio]propanoic acid, AR-422/41598846
| Molecular Formula | C15H15N5O2S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.022 |
| Topological Polar Surface Area | 106.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.09464 |
| Heavy Atoms | 23 |
| Complexity | 849.69946 |
Chemical Identifiers
| CAS Number | 632300-63-1 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC2=C(N=CN=C2N1CC3=CC=CC=C3)N |
Product Overview
2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid (CAS 632300-63-1), with molecular formula C15H15N5O2S and molecular weight 329.09 g/mol. IUPAC: 2-(6-amino-9-benzylpurin-8-yl)sulfanylpropanoic acid.
Chemical Property Profile of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid
Property Insights of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid
The XLogP value of 2.022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid. The TPSA of 106.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid. Following Lipinski's Rule of Five, 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid has 2 hydrogen bond donor(s) and 6 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-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid?
The CAS number of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid is 632300-63-1.
What is the molecular formula of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid?
The molecular formula of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid is C15H15N5O2S.
What is the molecular weight of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid?
The molecular weight of 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid is 329.09 g/mol.
Where can I buy 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid?
You can request a quote for 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Amino-9-benzyl-9H-purin-8-yl)thio]-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.