4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-
TL;DR: 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- (CAS 3897-15-2) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one
Also Known As: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one, 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-, 1-Methyl-5-phenyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one, 1-methyl-5-phenyl-3,5-dihydrobenzo[e][1,4]oxazepin-2(1H)-one, 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-,
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 3897-15-2 |
|---|---|
| SMILES | CN1C(=O)COC(C2=CC=CC=C21)C3=CC=CC=C3 |
| InChIKey | RBFKOEQRKPCHLM-UHFFFAOYSA-N |
Product Overview
4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- (CAS 3897-15-2), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one.
Chemical Property Profile of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-
Property Insights of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- 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 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-?
The CAS number of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- is 3897-15-2.
What is the molecular formula of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-?
The molecular formula of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- is C16H15NO2.
What is the molecular weight of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-?
The molecular weight of 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- is 253.11 g/mol.
Where can I buy 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-?
You can request a quote for 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,1-Benzoxazepin-2(3H)-one, 1,5-di-hydro-1-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.