![1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane structure](/static/products/2805/280560-85-2.webp)
1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane
TL;DR: 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane (CAS 280560-85-2) is a chemical compound with molecular formula C14H19F3N2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
Also Known As: 1-methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane, AB00077238-01, 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
| Molecular Formula | C14H19F3N2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15002 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 280560-85-2 |
|---|---|
| SMILES | CN1CCCN(CC1)CC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | ZGSVISKQAACDOT-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane (CAS 280560-85-2), with molecular formula C14H19F3N2 and molecular weight 272.15 g/mol. IUPAC: 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane.
Chemical Property Profile of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane
Property Insights of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane. With a topological polar surface area (TPSA) of 6.5 Ų, 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane has 0 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 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane?
The CAS number of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane is 280560-85-2.
What is the molecular formula of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane?
The molecular formula of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane is C14H19F3N2.
What is the molecular weight of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane?
The molecular weight of 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane is 272.15 g/mol.
Where can I buy 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane?
You can request a quote for 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.