3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
TL;DR: 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one (CAS 866050-77-3) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Also Known As: 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, 3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one, J3.385.449H, 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one, 6W-0878
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.5587 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 621.874 |
Chemical Identifiers
| CAS Number | 866050-77-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2COC3=CC=CC=C3C(=O)N2 |
Product Overview
3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one (CAS 866050-77-3), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
Chemical Property Profile of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
Property Insights of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
The XLogP value of 2.5587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one has 1 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 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The CAS number of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is 866050-77-3.
What is the molecular formula of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The molecular formula of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is C16H15NO3.
What is the molecular weight of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
The molecular weight of 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one is 269.11 g/mol.
Where can I buy 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
You can request a quote for 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.