![(3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone structure](/static/products/4391/439109-72-5.webp)
(3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
TL;DR: (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone (CAS 439109-72-5) is a chemical compound with molecular formula C13H10ClF3N2O and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
Also Known As: (3-chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone, (3-chlorophenyl)[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone, 5R-0612, 1-(3-chlorobenzoyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, (3-Chlorophenyl)[2,3-dihydro-5-(trifluoromethyl)-1H-1,4-diazepin-1-yl]methanone
| Molecular Formula | C13H10ClF3N2O |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.3128 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.04337 |
| Heavy Atoms | 20 |
| Complexity | 581.2242 |
Chemical Identifiers
| CAS Number | 439109-72-5 |
|---|---|
| SMILES | C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)Cl |
Product Overview
(3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone (CAS 439109-72-5), with molecular formula C13H10ClF3N2O and molecular weight 302.04 g/mol. IUPAC: (3-chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone.
Chemical Property Profile of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
Property Insights of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
The XLogP value of 3.3128 indicates that (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone has 0 hydrogen bond donor(s) and 2 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 (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The CAS number of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is 439109-72-5.
What is the molecular formula of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The molecular formula of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is C13H10ClF3N2O.
What is the molecular weight of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The molecular weight of (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is 302.04 g/mol.
Where can I buy (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
You can request a quote for (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Chlorophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.