10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
TL;DR: 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-87-9) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-8-nitrobenzo[b][1,4]benzoxazepin-6-one
Also Known As: 2NO2-10Et-DBOA-11-one, 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 5-ethyl-8-nitrobenzo[b][1,4]benzoxazepin-6-one, 5-ethyl-8-nitro-benzo[b][1,4]benzoxazepin-6-one, 10-Ethyl-2-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 140412-87-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ALJYHMMVKRGSFH-UHFFFAOYSA-N |
Product Overview
10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-87-9), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: 5-ethyl-8-nitrobenzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Property Insights of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one. Following Lipinski's Rule of Five, 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one has 0 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 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The CAS number of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140412-87-9.
What is the molecular formula of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular formula of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C15H12N2O4.
What is the molecular weight of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular weight of 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 284.08 g/mol.
Where can I buy 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
You can request a quote for 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 10-Ethyl-2-nitro-dibenz(b,f)(1,4)oxazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.