3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
TL;DR: 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CAS 18237-57-5) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Also Known As: 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one, 3,4-Dihydro-3-phenyl-1,4-benzoxazepin-5(2H)-one, 3-Phenyl-2,3-dihydro-1,4-benzoxazepin-5-ol, 3-Phenyl-2,3-dihydro-1,4-benzoxazepin-5-ol #, 3-phenyl-3,4-dihydro-1,4-benzoxazepin-5(2h)-one
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 18237-57-5 |
|---|---|
| SMILES | C1C(NC(=O)C2=CC=CC=C2O1)C3=CC=CC=C3 |
| InChIKey | FNXRXHIGVBYNLC-UHFFFAOYSA-N |
Product Overview
3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CAS 18237-57-5), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
Chemical Property Profile of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Property Insights of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one 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 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The CAS number of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is 18237-57-5.
What is the molecular formula of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The molecular formula of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is C15H13NO2.
What is the molecular weight of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The molecular weight of 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one is 239.09 g/mol.
Where can I buy 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
You can request a quote for 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.