![2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile structure](/static/products/866/866156-23-2.png)
2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile
TL;DR: 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile (CAS 866156-23-2) is a chemical compound with molecular formula C16H11N3O4 and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-8-nitro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)acetonitrile
Also Known As: 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile, 2-(2-methyl-8-nitro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)acetonitrile, 2-{5-methyl-13-nitro-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl}acetonitrile, 2-{5-methyl-13-nitro-10-oxo-2-oxa-9-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,12,14-hexaen-9-yl}acetonitrile
| Molecular Formula | C16H11N3O4 |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 3.1793 |
| Topological Polar Surface Area | 96.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.07495 |
| Heavy Atoms | 23 |
| Complexity | 870.11444 |
Chemical Identifiers
| CAS Number | 866156-23-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CC#N |
Product Overview
2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile (CAS 866156-23-2), with molecular formula C16H11N3O4 and molecular weight 309.07 g/mol. IUPAC: 2-(2-methyl-8-nitro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)acetonitrile.
Chemical Property Profile of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile
Property Insights of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile
The XLogP value of 3.1793 indicates that 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile 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 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile?
The CAS number of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile is 866156-23-2.
What is the molecular formula of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile?
The molecular formula of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile is C16H11N3O4.
What is the molecular weight of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile?
The molecular weight of 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile is 309.07 g/mol.
Where can I buy 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile?
You can request a quote for 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[7-methyl-2-nitro-11-oxodibenzo[b,f][1,4]oxazepin-10(11H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.