Methazathioprine
TL;DR: Methazathioprine (CAS 97746-12-8) is a chemical compound with molecular formula C10H9N7O2S and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Also Known As: Methazathioprine, Metazathioprine, 6-(1,2-Dimethyl-4-nitro-5-imidazolyl)thiopurine, 6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine, 1H-Purine, 6-((1,2-dimethyl-4-nitro-1H-imidazol-5-yl)thio)-
| Molecular Formula | C10H9N7O2S |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.05383 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 97746-12-8 |
|---|---|
| SMILES | CC1=NC(=C(N1C)SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
| InChIKey | WZWQYDFRODCCDY-UHFFFAOYSA-N |
Product Overview
Methazathioprine (CAS 97746-12-8), with molecular formula C10H9N7O2S and molecular weight 291.05 g/mol. IUPAC: 6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine.
Chemical Property Profile of Methazathioprine
Property Insights of Methazathioprine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methazathioprine. The TPSA of 143.0 Ų indicates high polarity, suggesting Methazathioprine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methazathioprine has 1 hydrogen bond donor(s) and 7 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 Methazathioprine?
The CAS number of Methazathioprine is 97746-12-8.
What is the molecular formula of Methazathioprine?
The molecular formula of Methazathioprine is C10H9N7O2S.
What is the molecular weight of Methazathioprine?
The molecular weight of Methazathioprine is 291.05 g/mol.
Where can I buy Methazathioprine?
You can request a quote for Methazathioprine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methazathioprine?
Yes, KEHONG BIO provides custom synthesis services for Methazathioprine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.