2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate
TL;DR: 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate (CAS 356098-47-0) is a chemical compound with molecular formula C20H17ClF3NO5 and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
Also Known As: 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate, [2-(4-methoxyphenyl)-2-oxoethyl] 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate, [2-(4-methoxyphenyl)-2-oxo-ethyl] 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]propanoate, 2-(4-METHOXYPHENYL)-2-OXOETHYL 3-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}PROPANOATE, 2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-4-oxobutanoate
| Molecular Formula | C20H17ClF3NO5 |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 4.5122 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.07474 |
| Heavy Atoms | 30 |
| Complexity | 929.0294 |
Chemical Identifiers
| CAS Number | 356098-47-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate (CAS 356098-47-0), with molecular formula C20H17ClF3NO5 and molecular weight 443.07 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate.
Chemical Property Profile of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate
Property Insights of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate
The XLogP value of 4.5122 indicates that 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate has 1 hydrogen bond donor(s) and 5 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 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate?
The CAS number of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate is 356098-47-0.
What is the molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate?
The molecular formula of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate is C20H17ClF3NO5.
What is the molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate?
The molecular weight of 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate is 443.07 g/mol.
Where can I buy 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate?
You can request a quote for 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-2-oxoethyl 4-((2-chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.