![8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one structure](/static/products/889/889971-92-0.png)
8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
TL;DR: 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS 889971-92-0) is a chemical compound with molecular formula C13H7ClN2O4 and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 3-chloro-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 8-chloro-3-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one, A3972/0169311, dibenz[b,f][1,4]oxazepin-11(10h)-one, 8-chloro-3-nitro
| Molecular Formula | C13H7ClN2O4 |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 3.6062 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.00943 |
| Heavy Atoms | 20 |
| Complexity | 745.1462 |
Chemical Identifiers
| CAS Number | 889971-92-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC3=C(C=C(C=C3)Cl)NC2=O |
Product Overview
8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS 889971-92-0), with molecular formula C13H7ClN2O4 and molecular weight 290.01 g/mol. IUPAC: 3-chloro-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Property Insights of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
The XLogP value of 3.6062 indicates that 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one. Following Lipinski's Rule of Five, 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one 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 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The CAS number of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is 889971-92-0.
What is the molecular formula of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The molecular formula of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is C13H7ClN2O4.
What is the molecular weight of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The molecular weight of 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is 290.01 g/mol.
Where can I buy 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
You can request a quote for 8-chloro-3-nitrodibenzo[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 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.