![7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one structure](/static/products/866/866020-34-0.png)
7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one
TL;DR: 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one (CAS 866020-34-0) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylbutan-2-yl)-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
Also Known As: 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one, 4X-0827, 14-(2-methylbutan-2-yl)-5-nitro-2-oxa-11-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-one, 2-(2-methylbutan-2-yl)-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one, 2-(1,1-dimethylpropyl)-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 4.4271 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 858.49774 |
Chemical Identifiers
| CAS Number | 866020-34-0 |
|---|---|
| SMILES | CCC(C)(C)C1=CC2=C(C=C1)OCC3=C(C=CC=C3[N+](=O)[O-])C(=O)N2 |
Product Overview
7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one (CAS 866020-34-0), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: 2-(2-methylbutan-2-yl)-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one.
Chemical Property Profile of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one
Property Insights of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one
The XLogP value of 4.4271 indicates that 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-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 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one. Following Lipinski's Rule of Five, 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-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 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one?
The CAS number of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one is 866020-34-0.
What is the molecular formula of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one?
The molecular formula of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one is C19H20N2O4.
What is the molecular weight of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one?
The molecular weight of 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one is 340.14 g/mol.
Where can I buy 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one?
You can request a quote for 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-2-(tert-pentyl)-6H-dibenzo[b,f][1,4]oxazocin-11(12H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.