![4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one structure](/static/products/4780/478047-03-9.webp)
4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 478047-03-9) is a chemical compound with molecular formula C18H14F3NO and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
Also Known As: (E)-4-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1,1,1-trifluoro-3-buten-2-one, 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
| Molecular Formula | C18H14F3NO |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 4.5684 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.10275 |
| Heavy Atoms | 23 |
| Complexity | 717.3572 |
Chemical Identifiers
| CAS Number | 478047-03-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C=CC(=O)C(F)(F)F |
Product Overview
4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 478047-03-9), with molecular formula C18H14F3NO and molecular weight 317.10 g/mol. IUPAC: 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 4.5684 indicates that 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-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 20.31 Ų, 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-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-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one has 0 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 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one is 478047-03-9.
What is the molecular formula of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one is C18H14F3NO.
What is the molecular weight of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one is 317.10 g/mol.
Where can I buy 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-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-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.