6-Mercaptopurine sodium salt
TL;DR: 6-Mercaptopurine sodium salt (CAS 1194-62-3) is a chemical compound with molecular formula C5H4N4NaS+ and molecular weight 175.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3,7-dihydropurine-6-thione
Also Known As: 6-Mercaptopurine sodium salt, MERCAPTOPURINE SODIUM, Purine-6-thiol, monosodium salt, sodium 3,7-dihydropurine-6-thione, 6H-Purine-6-thione, 1,3-dihydro-, monosodium salt
| Molecular Formula | C5H4N4NaS+ |
|---|---|
| Molecular Weight | 175.01 g/mol |
| LogP | -1.98051 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.00543 |
| Heavy Atoms | 11 |
| Complexity | 405.77466 |
Chemical Identifiers
| CAS Number | 1194-62-3 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=CN2.[Na+] |
Product Overview
6-Mercaptopurine sodium salt (CAS 1194-62-3), with molecular formula C5H4N4NaS+ and molecular weight 175.01 g/mol. IUPAC: sodium 3,7-dihydropurine-6-thione.
Chemical Property Profile of 6-Mercaptopurine sodium salt
Property Insights of 6-Mercaptopurine sodium salt
The XLogP value of -1.98051 indicates that 6-Mercaptopurine sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.36 Ų, 6-Mercaptopurine sodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Mercaptopurine sodium salt 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 sodium salt?
The CAS number of 6-Mercaptopurine sodium salt is 1194-62-3.
What is the molecular formula of 6-Mercaptopurine sodium salt?
The molecular formula of 6-Mercaptopurine sodium salt is C5H4N4NaS+.
What is the molecular weight of 6-Mercaptopurine sodium salt?
The molecular weight of 6-Mercaptopurine sodium salt is 175.01 g/mol.
Where can I buy 6-Mercaptopurine sodium salt?
You can request a quote for 6-Mercaptopurine sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercaptopurine sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercaptopurine sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.