![3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol structure](/static/products/7795/77952-71-7.webp)
3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol
TL;DR: 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol (CAS 77952-71-7) is a chemical compound with molecular formula C12H12N4O5S and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol
Also Known As: BAS 00322778, 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol, 4-nitro-1-{3-nitro-4-methoxybenzyl}-2-methyl-5-sulfanyl-1H-imidazole, 1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiol, A0323/0014813
| Molecular Formula | C12H12N4O5S |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 2.35352 |
| Topological Polar Surface Area | 113.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.05283 |
| Heavy Atoms | 22 |
| Complexity | 758.21515 |
Chemical Identifiers
| CAS Number | 77952-71-7 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])S)[N+](=O)[O-] |
Product Overview
3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol (CAS 77952-71-7), with molecular formula C12H12N4O5S and molecular weight 324.05 g/mol. IUPAC: 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol.
Chemical Property Profile of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol
Property Insights of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol
The XLogP value of 2.35352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol. The TPSA of 113.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol. Following Lipinski's Rule of Five, 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol 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 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol?
The CAS number of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol is 77952-71-7.
What is the molecular formula of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol?
The molecular formula of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol is C12H12N4O5S.
What is the molecular weight of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol?
The molecular weight of 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol is 324.05 g/mol.
Where can I buy 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol?
You can request a quote for 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.