6-(2-Carboxyethylthio)purine
TL;DR: 6-(2-Carboxyethylthio)purine (CAS 608-10-6) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7H-purin-6-ylsulfanyl)propanoic acid
Also Known As: 3-(9H-purin-6-ylsulfanyl)propanoic acid, 6-(2-Carboxyethylthio)purine, Propionic acid, 3-(purin-6-ylthio)-, ChemDiv1_000438, 3-(7H-Purin-6-ylthio)propionic acid
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 608-10-6 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O |
| InChIKey | CSOKIZRBAMNJDO-UHFFFAOYSA-N |
Product Overview
6-(2-Carboxyethylthio)purine (CAS 608-10-6), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: 3-(7H-purin-6-ylsulfanyl)propanoic acid.
Chemical Property Profile of 6-(2-Carboxyethylthio)purine
Property Insights of 6-(2-Carboxyethylthio)purine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Carboxyethylthio)purine. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Carboxyethylthio)purine. Following Lipinski's Rule of Five, 6-(2-Carboxyethylthio)purine 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-(2-Carboxyethylthio)purine?
The CAS number of 6-(2-Carboxyethylthio)purine is 608-10-6.
What is the molecular formula of 6-(2-Carboxyethylthio)purine?
The molecular formula of 6-(2-Carboxyethylthio)purine is C8H8N4O2S.
What is the molecular weight of 6-(2-Carboxyethylthio)purine?
The molecular weight of 6-(2-Carboxyethylthio)purine is 224.04 g/mol.
Where can I buy 6-(2-Carboxyethylthio)purine?
You can request a quote for 6-(2-Carboxyethylthio)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Carboxyethylthio)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Carboxyethylthio)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.