3-((2-Amino-1H-purin-6-yl)thio)propionic acid
TL;DR: 3-((2-Amino-1H-purin-6-yl)thio)propionic acid (CAS 93919-44-9) is a chemical compound with molecular formula C8H9N5O2S and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-amino-7H-purin-6-yl)sulfanyl]propanoic acid
Also Known As: 3-((2-Amino-1H-purin-6-yl)thio)propionic acid, EINECS 300-029-1, 3-[(2-amino-7H-purin-6-yl)sulfanyl]propanoic acid, 3-((2-Amino-1H-purin-6-yl)thio)propanoic acid, Propanoic acid, 3-[(2-amino-9H-purin-6-yl)thio]-
| Molecular Formula | C8H9N5O2S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 0.5019 |
| Topological Polar Surface Area | 117.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0477 |
| Heavy Atoms | 16 |
| Complexity | 526.12305 |
Chemical Identifiers
| CAS Number | 93919-44-9 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC(=N2)N)SCCC(=O)O |
Product Overview
3-((2-Amino-1H-purin-6-yl)thio)propionic acid (CAS 93919-44-9), with molecular formula C8H9N5O2S and molecular weight 239.05 g/mol. IUPAC: 3-[(2-amino-7H-purin-6-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid
Property Insights of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid
The XLogP value of 0.5019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Amino-1H-purin-6-yl)thio)propionic acid. The TPSA of 117.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Amino-1H-purin-6-yl)thio)propionic acid. Following Lipinski's Rule of Five, 3-((2-Amino-1H-purin-6-yl)thio)propionic acid has 3 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 3-((2-Amino-1H-purin-6-yl)thio)propionic acid?
The CAS number of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid is 93919-44-9.
What is the molecular formula of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid?
The molecular formula of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid is C8H9N5O2S.
What is the molecular weight of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid?
The molecular weight of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid is 239.05 g/mol.
Where can I buy 3-((2-Amino-1H-purin-6-yl)thio)propionic acid?
You can request a quote for 3-((2-Amino-1H-purin-6-yl)thio)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Amino-1H-purin-6-yl)thio)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Amino-1H-purin-6-yl)thio)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.