![2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide structure](/static/products/866/866157-23-5.png)
2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide
TL;DR: 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide (CAS 866157-23-5) is a chemical compound with molecular formula C21H14F3N3O4 and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide
Also Known As: 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide, 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide, 13-nitro-N-[3-(trifluoromethyl)phenyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-9-carboxamide, 13-nitro-N-[3-(trifluoromethyl)phenyl]-2-oxa-9-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaene-9-carboxamide
| Molecular Formula | C21H14F3N3O4 |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 5.958 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.09363 |
| Heavy Atoms | 31 |
| Complexity | 1180.5267 |
Chemical Identifiers
| CAS Number | 866157-23-5 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide (CAS 866157-23-5), with molecular formula C21H14F3N3O4 and molecular weight 429.09 g/mol. IUPAC: 8-nitro-N-[3-(trifluoromethyl)phenyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide.
Chemical Property Profile of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide
Property Insights of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide
The XLogP value of 5.958 indicates that 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide. Following Lipinski's Rule of Five, 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide?
The CAS number of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide is 866157-23-5.
What is the molecular formula of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide?
The molecular formula of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide is C21H14F3N3O4.
What is the molecular weight of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide?
The molecular weight of 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide is 429.09 g/mol.
Where can I buy 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide?
You can request a quote for 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-[3-(trifluoromethyl)phenyl]dibenzo[b,f][1,4]oxazepine-10(11H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.