![13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene structure](/static/products/866/866157-25-7.png)
13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
TL;DR: 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene (CAS 866157-25-7) is a chemical compound with molecular formula C21H13F3N2O5 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)-[3-(trifluoromethoxy)phenyl]methanone
Also Known As: 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene, (8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)-[3-(trifluoromethoxy)phenyl]methanone, [2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl][3-(trifluoromethoxy)phenyl]methanone, (2-Nitrodibenz[b,f][1,4]oxazepin-10(11H)-yl)[3-(trifluoromethoxy)phenyl]methanone, (2-Nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl)[3-(trifluoromethoxy)phenyl]methanone
| Molecular Formula | C21H13F3N2O5 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 5.4461 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.07767 |
| Heavy Atoms | 31 |
| Complexity | 1179.672 |
Chemical Identifiers
| CAS Number | 866157-25-7 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)OC(F)(F)F |
Product Overview
13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene (CAS 866157-25-7), with molecular formula C21H13F3N2O5 and molecular weight 430.08 g/mol. IUPAC: (8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)-[3-(trifluoromethoxy)phenyl]methanone.
Chemical Property Profile of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
Property Insights of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
The XLogP value of 5.4461 indicates that 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene. Following Lipinski's Rule of Five, 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene?
The CAS number of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene is 866157-25-7.
What is the molecular formula of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene?
The molecular formula of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene is C21H13F3N2O5.
What is the molecular weight of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene?
The molecular weight of 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene is 430.08 g/mol.
Where can I buy 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene?
You can request a quote for 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene?
Yes, KEHONG BIO provides custom synthesis services for 13-nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.