![3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione structure](/static/products/2700/27007-55-2.webp)
3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione
TL;DR: 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione (CAS 27007-55-2) is a chemical compound with molecular formula C14H6N2O7 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dinitrobenzo[d][2]benzoxepine-5,7-dione
Also Known As: 3,9-dinitrodibenzo[c,e]oxepine-5,7-dione, 3,9-dinitrobenzo[d][2]benzoxepine-5,7-dione
| Molecular Formula | C14H6N2O7 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.0175 |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 27007-55-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)C3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | KXHXXQJKNDLHHC-UHFFFAOYSA-N |
Product Overview
3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione (CAS 27007-55-2), with molecular formula C14H6N2O7 and molecular weight 314.02 g/mol. IUPAC: 3,9-dinitrobenzo[d][2]benzoxepine-5,7-dione.
Chemical Property Profile of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione
Property Insights of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione. Following Lipinski's Rule of Five, 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione has 0 hydrogen bond donor(s) and 7 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 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione?
The CAS number of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione is 27007-55-2.
What is the molecular formula of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione?
The molecular formula of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione is C14H6N2O7.
What is the molecular weight of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione?
The molecular weight of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione is 314.02 g/mol.
Where can I buy 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione?
You can request a quote for 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.