![1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate structure](/static/products/7442/744236-35-9.webp)
1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate
TL;DR: 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate (CAS 744236-35-9) is a chemical compound with molecular formula C16H10Cl2F3N3O5 and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
Also Known As: 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate, 1-{[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl}ethyl 5,6-dichloropyridine-3-carboxylate, [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C16H10Cl2F3N3O5 |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | 4.4994 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.99496 |
| Heavy Atoms | 29 |
| Complexity | 984.75806 |
Chemical Identifiers
| CAS Number | 744236-35-9 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate (CAS 744236-35-9), with molecular formula C16H10Cl2F3N3O5 and molecular weight 450.99 g/mol. IUPAC: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate
Property Insights of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 4.4994 indicates that 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate has 1 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 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate is 744236-35-9.
What is the molecular formula of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate is C16H10Cl2F3N3O5.
What is the molecular weight of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate is 450.99 g/mol.
Where can I buy 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-[[4-nitro-2-(trifluoromethyl)phenyl]carbamoyl]ethyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.