6-Mercaptopurine Monohydrate
TL;DR: 6-Mercaptopurine Monohydrate (CAS 6112-76-1) is a chemical compound with molecular formula C5H6N4OS and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dihydropurine-6-thione;hydrate
Also Known As: 6-MERCAPTOPURINE MONOHYDRATE, mercaptopurine, 6-Mercaptopurine hydrate, Mercaptopurine hydrate, Purinethol
| Molecular Formula | C5H6N4OS |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.19079 |
| Topological Polar Surface Area | 88.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.02623 |
| Heavy Atoms | 11 |
| Complexity | 405.77466 |
Chemical Identifiers
| CAS Number | 6112-76-1 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=CN2.O |
Product Overview
6-Mercaptopurine Monohydrate (CAS 6112-76-1), with molecular formula C5H6N4OS and molecular weight 170.03 g/mol. IUPAC: 3,7-dihydropurine-6-thione;hydrate.
Chemical Property Profile of 6-Mercaptopurine Monohydrate
Property Insights of 6-Mercaptopurine Monohydrate
The XLogP value of 0.19079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Mercaptopurine Monohydrate. The TPSA of 88.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Mercaptopurine Monohydrate. Following Lipinski's Rule of Five, 6-Mercaptopurine Monohydrate has 2 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 6-Mercaptopurine Monohydrate?
The CAS number of 6-Mercaptopurine Monohydrate is 6112-76-1.
What is the molecular formula of 6-Mercaptopurine Monohydrate?
The molecular formula of 6-Mercaptopurine Monohydrate is C5H6N4OS.
What is the molecular weight of 6-Mercaptopurine Monohydrate?
The molecular weight of 6-Mercaptopurine Monohydrate is 170.03 g/mol.
Where can I buy 6-Mercaptopurine Monohydrate?
You can request a quote for 6-Mercaptopurine Monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercaptopurine Monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercaptopurine Monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.