![1,3-Dinitrodibenzo[b,f]oxepine structure](/static/products/969/96955-62-3.png)
1,3-Dinitrodibenzo[b,f]oxepine
TL;DR: 1,3-Dinitrodibenzo[b,f]oxepine (CAS 96955-62-3) is a chemical compound with molecular formula C14H8N2O5 and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitrobenzo[b][1]benzoxepine
Also Known As: 1,3-dinitrodibenzo[b,f]oxepine, 2,4-dinitrobenzo[b][1]benzoxepine, 1,3-dinitro-dibenzo[b,f]oxepine, 1,3-dinitrodibenzo[b,f]oxepin, 1,3-Dinitro-dibenz[b,f]oxepin
| Molecular Formula | C14H8N2O5 |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 3.7791 |
| Topological Polar Surface Area | 95.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.04333 |
| Heavy Atoms | 21 |
| Complexity | 797.94653 |
Chemical Identifiers
| CAS Number | 96955-62-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3-Dinitrodibenzo[b,f]oxepine (CAS 96955-62-3), with molecular formula C14H8N2O5 and molecular weight 284.04 g/mol. IUPAC: 2,4-dinitrobenzo[b][1]benzoxepine.
Chemical Property Profile of 1,3-Dinitrodibenzo[b,f]oxepine
Property Insights of 1,3-Dinitrodibenzo[b,f]oxepine
The XLogP value of 3.7791 indicates that 1,3-Dinitrodibenzo[b,f]oxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitrodibenzo[b,f]oxepine. Following Lipinski's Rule of Five, 1,3-Dinitrodibenzo[b,f]oxepine has 0 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 1,3-Dinitrodibenzo[b,f]oxepine?
The CAS number of 1,3-Dinitrodibenzo[b,f]oxepine is 96955-62-3.
What is the molecular formula of 1,3-Dinitrodibenzo[b,f]oxepine?
The molecular formula of 1,3-Dinitrodibenzo[b,f]oxepine is C14H8N2O5.
What is the molecular weight of 1,3-Dinitrodibenzo[b,f]oxepine?
The molecular weight of 1,3-Dinitrodibenzo[b,f]oxepine is 284.04 g/mol.
Where can I buy 1,3-Dinitrodibenzo[b,f]oxepine?
You can request a quote for 1,3-Dinitrodibenzo[b,f]oxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitrodibenzo[b,f]oxepine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitrodibenzo[b,f]oxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.