![[(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate structure](/static/products/3390/339019-79-3.webp)
[(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate
TL;DR: [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate (CAS 339019-79-3) is a chemical compound with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate
Also Known As: [(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate, 1-{2-nitro-4-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]phenyl}piperidine
| Molecular Formula | C20H18F3N3O4 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.7948 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.12494 |
| Heavy Atoms | 30 |
| Complexity | 970.00934 |
Chemical Identifiers
| CAS Number | 339019-79-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)C=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
[(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate (CAS 339019-79-3), with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol. IUPAC: [(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate
Property Insights of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate
The XLogP value of 4.7948 indicates that [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 6 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 [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate?
The CAS number of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate is 339019-79-3.
What is the molecular formula of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate?
The molecular formula of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate is C20H18F3N3O4.
What is the molecular weight of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate?
The molecular weight of [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate is 421.12 g/mol.
Where can I buy [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate?
You can request a quote for [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(3-Nitro-4-piperidin-1-ylphenyl)methylideneamino] 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.