![9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine structure](/static/products/4474/447449-64-1.webp)
9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine
TL;DR: 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine (CAS 447449-64-1) is a chemical compound with molecular formula C17H9N3O5 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11-dinitronaphtho[1,2-b][1,4]benzoxazepine
Also Known As: 9,11-dinitronaphtho[1,2-b][1,4]benzoxazepine, J2.667.042J, 9,11-dinitrobenzo[f]naphtho[1,2-b][1,4]oxazepine, 9,11-dinitrobenzo[f]naphtho[1,2-b]1,4-oxazepine, A2678/0114142
| Molecular Formula | C17H9N3O5 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 4.5125 |
| Topological Polar Surface Area | 107.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.05423 |
| Heavy Atoms | 25 |
| Complexity | 1091.0786 |
Chemical Identifiers
| CAS Number | 447449-64-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2OC4=CC(=CC(=C4C=N3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine (CAS 447449-64-1), with molecular formula C17H9N3O5 and molecular weight 335.05 g/mol. IUPAC: 9,11-dinitronaphtho[1,2-b][1,4]benzoxazepine.
Chemical Property Profile of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine
Property Insights of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine
The XLogP value of 4.5125 indicates that 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine. Following Lipinski's Rule of Five, 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine has 0 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 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine?
The CAS number of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine is 447449-64-1.
What is the molecular formula of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine?
The molecular formula of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine is C17H9N3O5.
What is the molecular weight of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine?
The molecular weight of 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine is 335.05 g/mol.
Where can I buy 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine?
You can request a quote for 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Dinitronaphtho[1,2-b][1,4]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.