![3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid structure](/static/products/6966/696620-16-3.webp)
3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid
TL;DR: 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid (CAS 696620-16-3) is a chemical compound with molecular formula C15H9NO5 and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzo[b][1]benzoxepine-4-carboxylic acid
Also Known As: 3-nitrodibenzo[b,f]oxepine-1-carboxylic acid, ZERO/005209, 3-nitrodibenzo[b,f]oxepincarboxylic acid, 2-nitrobenzo[b][1]benzoxepine-4-carboxylic acid, 3-nitrodibenzo[{b},{f}]oxepine-1-carboxylic acid
| Molecular Formula | C15H9NO5 |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.5691 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04807 |
| Heavy Atoms | 21 |
| Complexity | 794.6461 |
Chemical Identifiers
| CAS Number | 696620-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C=C(C=C3O2)[N+](=O)[O-])C(=O)O |
Product Overview
3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid (CAS 696620-16-3), with molecular formula C15H9NO5 and molecular weight 283.05 g/mol. IUPAC: 2-nitrobenzo[b][1]benzoxepine-4-carboxylic acid.
Chemical Property Profile of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid
Property Insights of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid
The XLogP value of 3.5691 indicates that 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid 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 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid?
The CAS number of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid is 696620-16-3.
What is the molecular formula of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid?
The molecular formula of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid is C15H9NO5.
What is the molecular weight of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid?
The molecular weight of 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid is 283.05 g/mol.
Where can I buy 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid?
You can request a quote for 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrodibenzo[b,f]oxepine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.