![7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one structure](/static/products/4426/442631-06-3.webp)
7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
TL;DR: 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 442631-06-3) is a chemical compound with molecular formula C19H11BrN2O5 and molecular weight 425.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: ZERO/003172, 1-(2-bromophenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 1-(2-bromophenoxy)-3-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one, 1-(2-Bromophenoxy)-3-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one
| Molecular Formula | C19H11BrN2O5 |
|---|---|
| Molecular Weight | 425.99 g/mol |
| LogP | 5.5076 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.98514 |
| Heavy Atoms | 27 |
| Complexity | 1083.4452 |
Chemical Identifiers
| CAS Number | 442631-06-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=C(C=C3OC4=CC=CC=C4Br)[N+](=O)[O-] |
Product Overview
7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 442631-06-3), with molecular formula C19H11BrN2O5 and molecular weight 425.99 g/mol. IUPAC: 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Property Insights of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
The XLogP value of 5.5076 indicates that 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. Following Lipinski's Rule of Five, 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The CAS number of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 442631-06-3.
What is the molecular formula of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular formula of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is C19H11BrN2O5.
What is the molecular weight of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular weight of 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 425.99 g/mol.
Where can I buy 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
You can request a quote for 7-(2-bromophenoxy)-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-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-bromophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.