9-Ethyl-6-mercaptopurine
TL;DR: 9-Ethyl-6-mercaptopurine (CAS 5427-20-3) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-3H-purine-6-thione
Also Known As: 9-ETHYL-6-MERCAPTOPURINE, 9-Ethyl-6-MP, 9-ethyl-3H-purine-6-thione, 9-Ethyl mercaptopurine, 9H-Purine-6-thiol, 9-ethyl-
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.50879 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 455.61948 |
Chemical Identifiers
| CAS Number | 5427-20-3 |
|---|---|
| SMILES | CCN1C=NC2=C1NC=NC2=S |
Product Overview
9-Ethyl-6-mercaptopurine (CAS 5427-20-3), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 9-ethyl-3H-purine-6-thione.
Chemical Property Profile of 9-Ethyl-6-mercaptopurine
Property Insights of 9-Ethyl-6-mercaptopurine
The XLogP value of 1.50879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Ethyl-6-mercaptopurine. With a topological polar surface area (TPSA) of 46.5 Ų, 9-Ethyl-6-mercaptopurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Ethyl-6-mercaptopurine has 1 hydrogen bond donor(s) and 3 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 9-Ethyl-6-mercaptopurine?
The CAS number of 9-Ethyl-6-mercaptopurine is 5427-20-3.
What is the molecular formula of 9-Ethyl-6-mercaptopurine?
The molecular formula of 9-Ethyl-6-mercaptopurine is C7H8N4S.
What is the molecular weight of 9-Ethyl-6-mercaptopurine?
The molecular weight of 9-Ethyl-6-mercaptopurine is 180.05 g/mol.
Where can I buy 9-Ethyl-6-mercaptopurine?
You can request a quote for 9-Ethyl-6-mercaptopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Ethyl-6-mercaptopurine?
Yes, KEHONG BIO provides custom synthesis services for 9-Ethyl-6-mercaptopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.