1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole
TL;DR: 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole (CAS 420807-47-2) is a chemical compound with molecular formula C15H12ClN3O4S and molecular weight 365.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole
Also Known As: BAS 00804362, BIM-0033422.P001, 1-(4-chloro-3-nitrobenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole, 1-(4-chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole, 4-[(5,6-dimethylbenzimidazolyl)sulfonyl]-1-chloro-2-nitrobenzene
| Molecular Formula | C15H12ClN3O4S |
|---|---|
| Molecular Weight | 365.02 g/mol |
| LogP | 3.45174 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.0237 |
| Heavy Atoms | 24 |
| Complexity | 1089.5374 |
Chemical Identifiers
| CAS Number | 420807-47-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole (CAS 420807-47-2), with molecular formula C15H12ClN3O4S and molecular weight 365.02 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole.
Chemical Property Profile of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole
Property Insights of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole
The XLogP value of 3.45174 indicates that 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole has 0 hydrogen bond donor(s) and 5 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 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The CAS number of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole is 420807-47-2.
What is the molecular formula of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The molecular formula of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole is C15H12ClN3O4S.
What is the molecular weight of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole?
The molecular weight of 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole is 365.02 g/mol.
Where can I buy 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole?
You can request a quote for 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrophenyl)sulfonyl-5,6-dimethylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.