1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one
TL;DR: 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one (CAS 4048-78-6) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,2,3,5-tetrahydro-3-benzazepin-4-one
Also Known As: 5-phenyl-1,2,3,5-tetrahydro-3-benzazepin-4-one, AE-641/11702928, 1-phenyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one, 1-phenyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one, 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.4908 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 562.31946 |
Chemical Identifiers
| CAS Number | 4048-78-6 |
|---|---|
| SMILES | C1CNC(=O)C(C2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one (CAS 4048-78-6), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 5-phenyl-1,2,3,5-tetrahydro-3-benzazepin-4-one.
Chemical Property Profile of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one
Property Insights of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one
The XLogP value of 2.4908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one has 1 hydrogen bond donor(s) and 1 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-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one?
The CAS number of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one is 4048-78-6.
What is the molecular formula of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one?
The molecular formula of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one is C16H15NO.
What is the molecular weight of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one?
The molecular weight of 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one is 237.12 g/mol.
Where can I buy 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one?
You can request a quote for 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1,3,4,5-tetrahydro-3(2H)-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.