![4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one structure](/static/products/6464/646455-44-9.webp)
4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one (CAS 646455-44-9) is a chemical compound with molecular formula C16H17Cl2F3N2O and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one, 4-[4-(2,4-Dichlorobenzyl)homopiperazin-1-yl]-1,1,1-trifluorobut-3-en-2-one, 4-[4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1,1-trifluoro-but-3-en-2-one, 4-[4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one
| Molecular Formula | C16H17Cl2F3N2O |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 4.1462 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.06702 |
| Heavy Atoms | 24 |
| Complexity | 619.8304 |
Chemical Identifiers
| CAS Number | 646455-44-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C=CC(=O)C(F)(F)F)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one (CAS 646455-44-9), with molecular formula C16H17Cl2F3N2O and molecular weight 380.07 g/mol. IUPAC: 4-[4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 4.1462 indicates that 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one has 0 hydrogen bond donor(s) and 3 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 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one is 646455-44-9.
What is the molecular formula of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one is C16H17Cl2F3N2O.
What is the molecular weight of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one is 380.07 g/mol.
Where can I buy 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2,4-dichlorobenzyl)-1,4-diazepan-1-yl]-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.