![phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone structure](/static/products/4391/439108-41-5.webp)
phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone
TL;DR: phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone (CAS 439108-41-5) is a chemical compound with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
Also Known As: phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone, phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone, 4R-0609, 1-benzoyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C13H11F3N2O |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.6594 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.08234 |
| Heavy Atoms | 19 |
| Complexity | 520.4399 |
Chemical Identifiers
| CAS Number | 439108-41-5 |
|---|---|
| SMILES | C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=CC=C2 |
Product Overview
phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone (CAS 439108-41-5), with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol. IUPAC: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone.
Chemical Property Profile of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone
Property Insights of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone
The XLogP value of 2.6594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone. With a topological polar surface area (TPSA) of 32.67 Ų, phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-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 phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone?
The CAS number of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone is 439108-41-5.
What is the molecular formula of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone?
The molecular formula of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone is C13H11F3N2O.
What is the molecular weight of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone?
The molecular weight of phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone is 268.08 g/mol.
Where can I buy phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone?
You can request a quote for phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-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 phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for phenyl[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.