4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine
TL;DR: 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine (CAS 353273-64-0) is a chemical compound with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepine
Also Known As: AI-219/33012038, 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepine, 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine, 4-Methyl-2-trifluoromethyl-1H-benzo[b][1,4]diazepine
| Molecular Formula | C11H9F3N2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.07178 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 353273-64-0 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C2N1)C(F)(F)F |
| InChIKey | SEFIZTREJFOILR-UHFFFAOYSA-N |
Product Overview
4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine (CAS 353273-64-0), with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol. IUPAC: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepine.
Chemical Property Profile of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine
Property Insights of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine
The XLogP value of 3.0 indicates that 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine has 1 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 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine?
The CAS number of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine is 353273-64-0.
What is the molecular formula of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine?
The molecular formula of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine is C11H9F3N2.
What is the molecular weight of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine?
The molecular weight of 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine is 226.07 g/mol.
Where can I buy 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine?
You can request a quote for 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-(trifluoromethyl)-1H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.