7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 77855-07-3) is a chemical compound with molecular formula C7H9F3N2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Also Known As: 7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, J1.121.921G, 1H-1,4-Diazepine,2,3-dihydro-5-methyl-7-(trifluoromethyl)-, 2,3-DIHYDRO-5-METHYL-7-TRIFLUORMETHYL-1H-1,4-DIAZEPINE, 5-methyl-7-trifluoromethyl-2,3-dihydro-1h-1,4-diazepine
| Molecular Formula | C7H9F3N2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.4967 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.07178 |
| Heavy Atoms | 12 |
| Complexity | 227.29622 |
Chemical Identifiers
| CAS Number | 77855-07-3 |
|---|---|
| SMILES | CC1=CC(=NCCN1)C(F)(F)F |
Product Overview
7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 77855-07-3), with molecular formula C7H9F3N2 and molecular weight 178.07 g/mol. IUPAC: 7-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
Chemical Property Profile of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 1.4967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. With a topological polar surface area (TPSA) of 24.39 Ų, 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine has 1 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 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 77855-07-3.
What is the molecular formula of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C7H9F3N2.
What is the molecular weight of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 178.07 g/mol.
Where can I buy 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 7-Methyl-5-(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 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.