6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
TL;DR: 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine (CAS 4730-27-2) is a chemical compound with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Also Known As: ML068 Analog, 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine, 1-methyl-5-nitro-4-purin-6-ylthioimidazole, 6-(1-methyl-5-nitroimidazol-4-yl)-thiopurine, 6-[(1-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-7H-purine
| Molecular Formula | C9H7N7O2S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.1458 |
| Topological Polar Surface Area | 115.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0382 |
| Heavy Atoms | 19 |
| Complexity | 764.8623 |
Chemical Identifiers
| CAS Number | 4730-27-2 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])SC2=NC=NC3=C2NC=N3 |
Product Overview
6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine (CAS 4730-27-2), with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol. IUPAC: 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine.
Chemical Property Profile of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Property Insights of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
The XLogP value of 1.1458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine. The TPSA of 115.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine. Following Lipinski's Rule of Five, 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine 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 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine?
The CAS number of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine is 4730-27-2.
What is the molecular formula of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine?
The molecular formula of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine is C9H7N7O2S.
What is the molecular weight of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine?
The molecular weight of 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine is 277.04 g/mol.
Where can I buy 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine?
You can request a quote for 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.