3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid
TL;DR: 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid (CAS 304444-49-3) 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-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid
Also Known As: 3'-Fluoropropiophenone, 3-((6-amino-9h-purin-8-yl)thio)propanoic acid, 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid, 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid, BAS 00161952
| Molecular Formula | C8H9N5O2S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0477 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 304444-49-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N=C(N2)SCCC(=O)O)N |
| InChIKey | NCFCRBQEUIJUNG-UHFFFAOYSA-N |
Product Overview
3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid (CAS 304444-49-3), with molecular formula C8H9N5O2S and molecular weight 239.05 g/mol. IUPAC: 3-[(6-amino-7H-purin-8-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid
Property Insights of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid has 3 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 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid?
The CAS number of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid is 304444-49-3.
What is the molecular formula of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid?
The molecular formula of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid is C8H9N5O2S.
What is the molecular weight of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid?
The molecular weight of 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid is 239.05 g/mol.
Where can I buy 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid?
You can request a quote for 3-(6-Amino-9H-purin-8-ylsulfanyl)-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-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Amino-9H-purin-8-ylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.