9-(n-Butyl)-6-mercaptopurine
TL;DR: 9-(n-Butyl)-6-mercaptopurine (CAS 6165-01-1) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butyl-3H-purine-6-thione
Also Known As: 9-Butyl-6-mercaptopurine, BuMP, 9-Butyl-6MP, 9-Butyl mercaptopurine, 9-Butyl-9H-purine-6-thiol
| Molecular Formula | C9H12N4S |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.28899 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07826 |
| Heavy Atoms | 14 |
| Complexity | 484.76276 |
Chemical Identifiers
| CAS Number | 6165-01-1 |
|---|---|
| SMILES | CCCCN1C=NC2=C1NC=NC2=S |
Product Overview
9-(n-Butyl)-6-mercaptopurine (CAS 6165-01-1), with molecular formula C9H12N4S and molecular weight 208.08 g/mol. IUPAC: 9-butyl-3H-purine-6-thione.
Chemical Property Profile of 9-(n-Butyl)-6-mercaptopurine
Property Insights of 9-(n-Butyl)-6-mercaptopurine
The XLogP value of 2.28899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(n-Butyl)-6-mercaptopurine. With a topological polar surface area (TPSA) of 46.5 Ų, 9-(n-Butyl)-6-mercaptopurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(n-Butyl)-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-(n-Butyl)-6-mercaptopurine?
The CAS number of 9-(n-Butyl)-6-mercaptopurine is 6165-01-1.
What is the molecular formula of 9-(n-Butyl)-6-mercaptopurine?
The molecular formula of 9-(n-Butyl)-6-mercaptopurine is C9H12N4S.
What is the molecular weight of 9-(n-Butyl)-6-mercaptopurine?
The molecular weight of 9-(n-Butyl)-6-mercaptopurine is 208.08 g/mol.
Where can I buy 9-(n-Butyl)-6-mercaptopurine?
You can request a quote for 9-(n-Butyl)-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-(n-Butyl)-6-mercaptopurine?
Yes, KEHONG BIO provides custom synthesis services for 9-(n-Butyl)-6-mercaptopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.