3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid
TL;DR: 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid (CAS 6025-59-8) is a chemical compound with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid
Also Known As: 3-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]propanoic Acid, 3-[(8-hydroxy-9H-purin-6-yl)sulfanyl]propanoic acid, Propanoic acid, 3-[(8,9-dihydro-8-oxo-7H-purin-6-yl)thio]-, 3-((8-HYDROXY-9H-PURIN-6-YL)THIO)PROPANOIC ACID
| Molecular Formula | C8H8N4O3S |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 0.213 |
| Topological Polar Surface Area | 111.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.03171 |
| Heavy Atoms | 16 |
| Complexity | 575.9123 |
Chemical Identifiers
| CAS Number | 6025-59-8 |
|---|---|
| SMILES | C1=NC2=C(C(=N1)SCCC(=O)O)NC(=O)N2 |
Product Overview
3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid (CAS 6025-59-8), with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol. IUPAC: 3-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid
Property Insights of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid
The XLogP value of 0.213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid. The TPSA of 111.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid has 3 hydrogen bond donor(s) and 5 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-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid?
The CAS number of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid is 6025-59-8.
What is the molecular formula of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid?
The molecular formula of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid is C8H8N4O3S.
What is the molecular weight of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid?
The molecular weight of 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid is 240.03 g/mol.
Where can I buy 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid?
You can request a quote for 3-((8-Hydroxy-9H-purin-6-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 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((8-Hydroxy-9H-purin-6-YL)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.