3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one
TL;DR: 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one (CAS 866050-58-0) is a chemical compound with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-4H-1,4-benzoxazepin-5-one
Also Known As: 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one, 3-(3-nitrophenyl)-4H-1,4-benzoxazepin-5-one, 3-(3-nitrophenyl)-4,5-dihydro-1,4-benzoxazepin-5-one, 6W-0838
| Molecular Formula | C15H10N2O4 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 2.7156 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.06406 |
| Heavy Atoms | 21 |
| Complexity | 767.77386 |
Chemical Identifiers
| CAS Number | 866050-58-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=CO2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one (CAS 866050-58-0), with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol. IUPAC: 3-(3-nitrophenyl)-4H-1,4-benzoxazepin-5-one.
Chemical Property Profile of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one
Property Insights of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one
The XLogP value of 2.7156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one. Following Lipinski's Rule of Five, 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one has 1 hydrogen bond donor(s) and 4 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-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one?
The CAS number of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one is 866050-58-0.
What is the molecular formula of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one?
The molecular formula of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one is C15H10N2O4.
What is the molecular weight of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one?
The molecular weight of 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one is 282.06 g/mol.
Where can I buy 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one?
You can request a quote for 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-nitrophenyl)-1,4-benzoxazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.