![(3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone structure](/static/products/4391/439112-15-9.webp)
(3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
TL;DR: (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone (CAS 439112-15-9) is a chemical compound with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
Also Known As: 8R-0387, (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone, (3-nitrophenyl)[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl]methanone, 1-(3-nitrobenzoyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C13H10F3N3O3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.5676 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0674 |
| Heavy Atoms | 22 |
| Complexity | 667.98444 |
Chemical Identifiers
| CAS Number | 439112-15-9 |
|---|---|
| SMILES | C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone (CAS 439112-15-9), with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol. IUPAC: (3-nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone.
Chemical Property Profile of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
Property Insights of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
The XLogP value of 2.5676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone. Following Lipinski's Rule of Five, (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone has 0 hydrogen bond donor(s) and 4 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-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The CAS number of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is 439112-15-9.
What is the molecular formula of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The molecular formula of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is C13H10F3N3O3.
What is the molecular weight of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
The molecular weight of (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone is 313.07 g/mol.
Where can I buy (3-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
You can request a quote for (3-Nitrophenyl)-[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-Nitrophenyl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)-[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.