![[(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid structure](/static/products/3214/321418-06-8.webp)
[(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid
TL;DR: [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid (CAS 321418-06-8) is a chemical compound with molecular formula C14H13N5O2S and molecular weight 315.08 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)sulfanylacetic acid
Also Known As: ChemDiv3_006848, 2-Amino-4-methoxy-phenol, [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid, 8-Carboxymethylthio-N9-benzyladenine, 3-Methoxy-1,2,3-triphenylcyclopropene
| Molecular Formula | C14H13N5O2S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 1.6335 |
| Topological Polar Surface Area | 106.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.079 |
| Heavy Atoms | 22 |
| Complexity | 818.7162 |
Chemical Identifiers
| CAS Number | 321418-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SCC(=O)O)N |
Product Overview
[(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid (CAS 321418-06-8), with molecular formula C14H13N5O2S and molecular weight 315.08 g/mol. IUPAC: 2-(6-amino-9-benzylpurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid
Property Insights of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid
The XLogP value of 1.6335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid. The TPSA of 106.92 Ų falls within the moderate polarity range, balancing permeability and solubility for [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic 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 [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid?
The CAS number of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid is 321418-06-8.
What is the molecular formula of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid?
The molecular formula of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid is C14H13N5O2S.
What is the molecular weight of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid?
The molecular weight of [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid is 315.08 g/mol.
Where can I buy [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid?
You can request a quote for [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(6-Amino-9-benzyl-9H-purin-8-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.