5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
TL;DR: 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 309290-23-1) 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-(2-nitrophenyl)sulfonylbenzimidazole
Also Known As: BAS 01126420, 5,6-dimethyl-1-(2-nitrophenyl)sulfonylbenzimidazole, 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole, 5,6-dimethyl-1-[(2-nitrophenyl)sulfonyl]-1H-benzimidazole, 1-[(5,6-dimethylbenzimidazolyl)sulfonyl]-2-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 | 556.0 |
Chemical Identifiers
| CAS Number | 309290-23-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | HWPZNQLNSZMPRL-UHFFFAOYSA-N |
Product Overview
5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 309290-23-1), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 5,6-dimethyl-1-(2-nitrophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
Property Insights of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
The XLogP value of 3.2 indicates that 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole 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-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole 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-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The CAS number of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is 309290-23-1.
What is the molecular formula of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular formula of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is C15H13N3O4S.
What is the molecular weight of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular weight of 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is 331.06 g/mol.
Where can I buy 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
You can request a quote for 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole 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-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-1-(2-nitrobenzenesulfonyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.