![7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one structure](/static/products/3097/309735-46-4.webp)
7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one
TL;DR: 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 309735-46-4) is a chemical compound with molecular formula C13H7N3O6 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: ZERO/001727, 1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 1,3-bisnitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one, J2.257.257A
| Molecular Formula | C13H7N3O6 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 2.861 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.03348 |
| Heavy Atoms | 22 |
| Complexity | 832.5203 |
Chemical Identifiers
| CAS Number | 309735-46-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 309735-46-4), with molecular formula C13H7N3O6 and molecular weight 301.03 g/mol. IUPAC: 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one
Property Insights of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one
The XLogP value of 2.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one. Following Lipinski's Rule of Five, 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one has 1 hydrogen bond donor(s) and 6 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 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The CAS number of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one is 309735-46-4.
What is the molecular formula of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular formula of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one is C13H7N3O6.
What is the molecular weight of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular weight of 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one is 301.03 g/mol.
Where can I buy 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one?
You can request a quote for 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.