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7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
TL;DR: 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 405279-60-9) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: ZERO/003166, 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 1-ethoxy-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 1-Ethoxy-3-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one, 1-ethoxy-3-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 405279-60-9 |
|---|---|
| SMILES | CCOC1=CC(=CC2=C1C(=O)NC3=CC=CC=C3O2)[N+](=O)[O-] |
| InChIKey | GIJFMVRFLAXIGY-UHFFFAOYSA-N |
Product Overview
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 405279-60-9), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Property Insights of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. Following Lipinski's Rule of Five, 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one has 1 hydrogen bond donor(s) and 5 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-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The CAS number of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 405279-60-9.
What is the molecular formula of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular formula of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is C15H12N2O5.
What is the molecular weight of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular weight of 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 300.07 g/mol.
Where can I buy 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
You can request a quote for 7-ethoxy-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 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.