4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
TL;DR: 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate (CAS 86808-62-0) is a chemical compound with molecular formula C10H8ClN3O5S and molecular weight 316.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Also Known As: 4-chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate, (4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate, (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate, 5-(4-chlorophenoxy)sulfonyl-1-methyl-4-nitro-imidazole, 3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester
| Molecular Formula | C10H8ClN3O5S |
|---|---|
| Molecular Weight | 316.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.9873 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 86808-62-0 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | VCBIEXLZPZYLOK-UHFFFAOYSA-N |
Product Overview
4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate (CAS 86808-62-0), with molecular formula C10H8ClN3O5S and molecular weight 316.99 g/mol. IUPAC: (4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
Property Insights of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate. Following Lipinski's Rule of Five, 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate has 0 hydrogen bond donor(s) and 6 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 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The CAS number of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is 86808-62-0.
What is the molecular formula of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The molecular formula of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is C10H8ClN3O5S.
What is the molecular weight of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The molecular weight of 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is 316.99 g/mol.
Where can I buy 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
You can request a quote for 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.