Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-
TL;DR: Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- (CAS 89427-40-7) is a chemical compound with molecular formula C9H4ClF3N4O4 and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-, 6-Chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)benzimidazole, 1H-Benzimidazole, 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-, 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole, 5-Chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
| Molecular Formula | C9H4ClF3N4O4 |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.9873 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 89427-40-7 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C1Cl)[N+](=O)[O-])N=C(N2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | YPLUNPZVGFKOEU-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- (CAS 89427-40-7), with molecular formula C9H4ClF3N4O4 and molecular weight 323.99 g/mol. IUPAC: 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-
Property Insights of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-
The XLogP value of 3.1 indicates that Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 8 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 Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-?
The CAS number of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- is 89427-40-7.
What is the molecular formula of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- is C9H4ClF3N4O4.
What is the molecular weight of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- is 323.99 g/mol.
Where can I buy Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.