5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 77855-08-4) is a chemical compound with molecular formula C12H11F3N2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Also Known As: TimTec1_005833, 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 5-PHENYL-7-(TRIFLUOROMETHYL)-1H,2H,3H-1,4-DIAZEPINE, 5-Phenyl-7-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepine, A2656/0113231
| Molecular Formula | C12H11F3N2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.08743 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 77855-08-4 |
|---|---|
| SMILES | C1CN=C(C=C(N1)C(F)(F)F)C2=CC=CC=C2 |
| InChIKey | MTGUYKMVEUMQQY-UHFFFAOYSA-N |
Product Overview
5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 77855-08-4), with molecular formula C12H11F3N2 and molecular weight 240.09 g/mol. IUPAC: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
Chemical Property Profile of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. With a topological polar surface area (TPSA) of 24.4 Ų, 5-phenyl-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-phenyl-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-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 77855-08-4.
What is the molecular formula of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C12H11F3N2.
What is the molecular weight of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 240.09 g/mol.
Where can I buy 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 5-phenyl-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-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.