9-Methylazathioprine
TL;DR: 9-Methylazathioprine (CAS 304441-06-3) 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.
9-methyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine
Also Known As: 9-Methylazathioprine, Azathioprine Impurity 18, 9-methyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine, 9-Methyl-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine; NSC 280598; 9-Methylazathioprine
| Molecular Formula | C10H9N7O2S |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.05383 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 304441-06-3 |
|---|---|
| SMILES | CN1C=NC2=C1N=CN=C2SC3=C(N=CN3C)[N+](=O)[O-] |
| InChIKey | ITIZPSZAAAEWTG-UHFFFAOYSA-N |
Product Overview
9-Methylazathioprine (CAS 304441-06-3), with molecular formula C10H9N7O2S and molecular weight 291.05 g/mol. IUPAC: 9-methyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine.
Chemical Property Profile of 9-Methylazathioprine
Property Insights of 9-Methylazathioprine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methylazathioprine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methylazathioprine. Following Lipinski's Rule of Five, 9-Methylazathioprine has 0 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 9-Methylazathioprine?
The CAS number of 9-Methylazathioprine is 304441-06-3.
What is the molecular formula of 9-Methylazathioprine?
The molecular formula of 9-Methylazathioprine is C10H9N7O2S.
What is the molecular weight of 9-Methylazathioprine?
The molecular weight of 9-Methylazathioprine is 291.05 g/mol.
Where can I buy 9-Methylazathioprine?
You can request a quote for 9-Methylazathioprine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methylazathioprine?
Yes, KEHONG BIO provides custom synthesis services for 9-Methylazathioprine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.