5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 109541-37-9) is a chemical compound with molecular formula C13H13F3N2 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Also Known As: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 5-(p-tolyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 5-(4-methylphenyl)-7-(trifluoromethyl)-1,2-dihydro-3H-1,4-diazepine, 5-(Trifluoromethyl)-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepine, 7-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C13H13F3N2 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 2.83352 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.10309 |
| Heavy Atoms | 18 |
| Complexity | 483.95297 |
Chemical Identifiers
| CAS Number | 109541-37-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NCCNC(=C2)C(F)(F)F |
Product Overview
5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 109541-37-9), with molecular formula C13H13F3N2 and molecular weight 254.10 g/mol. IUPAC: 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
Chemical Property Profile of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 2.83352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. With a topological polar surface area (TPSA) of 24.39 Ų, 5-(4-methylphenyl)-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-(4-methylphenyl)-7-(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 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 109541-37-9.
What is the molecular formula of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C13H13F3N2.
What is the molecular weight of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 254.10 g/mol.
Where can I buy 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 5-(4-methylphenyl)-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-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.