5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 109541-38-0) is a chemical compound with molecular formula C12H10ClF3N2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Also Known As: 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 5-(4-Chloro-phenyl)-7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepine, 5-(4-chlorophenyl)-7-(trifluoromethyl)-1,2-dihydro-3H-1,4-diazepine, 5-(Trifluoromethyl)-7-(4-chlorophenyl)-2,3-dihydro-1H-1,4-diazepine, 7-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C12H10ClF3N2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.04846 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 109541-38-0 |
|---|---|
| SMILES | C1CN=C(C=C(N1)C(F)(F)F)C2=CC=C(C=C2)Cl |
| InChIKey | CYXMAITUYBZRHY-UHFFFAOYSA-N |
Product Overview
5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 109541-38-0), with molecular formula C12H10ClF3N2 and molecular weight 274.05 g/mol. IUPAC: 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
Chemical Property Profile of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 3.1 indicates that 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine 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 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 109541-38-0.
What is the molecular formula of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C12H10ClF3N2.
What is the molecular weight of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 274.05 g/mol.
Where can I buy 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.