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9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
TL;DR: 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 16398-23-5) is a chemical compound with molecular formula C13H8N2O4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: 3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, ZERO/001833, 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 3-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one, 3-Nitro-10H-dibenzo[b,f][1,4]oxazepin-11-one
| Molecular Formula | C13H8N2O4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.9528 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0484 |
| Heavy Atoms | 19 |
| Complexity | 696.7926 |
Chemical Identifiers
| CAS Number | 16398-23-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 16398-23-5), with molecular formula C13H8N2O4 and molecular weight 256.05 g/mol. IUPAC: 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Property Insights of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
The XLogP value of 2.9528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. Following Lipinski's Rule of Five, 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-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 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The CAS number of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 16398-23-5.
What is the molecular formula of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular formula of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is C13H8N2O4.
What is the molecular weight of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular weight of 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 256.05 g/mol.
Where can I buy 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
You can request a quote for 9-nitro-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 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.