6-mercaptopurine sulfonamide
TL;DR: 6-mercaptopurine sulfonamide (CAS 88511-80-2) is a chemical compound with molecular formula C5H5N5O2S2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanylidene-3,7-dihydropurine-2-sulfonamide
Also Known As: 6-mercaptopurine sulfonamide, 6-sulfanylidene-3,7-dihydropurine-2-sulfonamide, 6-sulfanylidene-3,5-dihydropurine-2-sulfonamide, 6-Sulfanylidene-6,7-dihydro-3H-purine-2-sulfonamide, RefChem:314051
| Molecular Formula | C5H5N5O2S2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | -0.33711 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.98846 |
| Heavy Atoms | 14 |
| Complexity | 639.4309 |
Chemical Identifiers
| CAS Number | 88511-80-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)S(=O)(=O)N |
Product Overview
6-mercaptopurine sulfonamide (CAS 88511-80-2), with molecular formula C5H5N5O2S2 and molecular weight 230.99 g/mol. IUPAC: 6-sulfanylidene-3,7-dihydropurine-2-sulfonamide.
Chemical Property Profile of 6-mercaptopurine sulfonamide
Property Insights of 6-mercaptopurine sulfonamide
The XLogP value of -0.33711 indicates that 6-mercaptopurine sulfonamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-mercaptopurine sulfonamide. Following Lipinski's Rule of Five, 6-mercaptopurine sulfonamide has 3 hydrogen bond donor(s) and 5 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 sulfonamide?
The CAS number of 6-mercaptopurine sulfonamide is 88511-80-2.
What is the molecular formula of 6-mercaptopurine sulfonamide?
The molecular formula of 6-mercaptopurine sulfonamide is C5H5N5O2S2.
What is the molecular weight of 6-mercaptopurine sulfonamide?
The molecular weight of 6-mercaptopurine sulfonamide is 230.99 g/mol.
Where can I buy 6-mercaptopurine sulfonamide?
You can request a quote for 6-mercaptopurine sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-mercaptopurine sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 6-mercaptopurine sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.