5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole
TL;DR: 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole (CAS 325812-60-0) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole
Also Known As: 5,6-dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole, BAS 01126421, 1-({4-nitrophenyl}sulfonyl)-5,6-dimethyl-1H-benzimidazole, 5,6-dimethyl-1-(4-nitrobenzenesulfonyl)-1H-1,3-benzodiazole, 1-[(5,6-dimethylbenzimidazolyl)sulfonyl]-4-nitrobenzene
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 325812-60-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | KHWDMGWQKWODBN-UHFFFAOYSA-N |
Product Overview
5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole (CAS 325812-60-0), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 5,6-dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole
Property Insights of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole
The XLogP value of 3.2 indicates that 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole. Following Lipinski's Rule of Five, 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole 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 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The CAS number of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole is 325812-60-0.
What is the molecular formula of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The molecular formula of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole is C15H13N3O4S.
What is the molecular weight of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The molecular weight of 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole is 331.06 g/mol.
Where can I buy 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
You can request a quote for 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethyl-1-(4-nitrophenyl)sulfonylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.