![methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate structure](/static/products/5158/515857-98-4.webp)
methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate
TL;DR: methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate (CAS 515857-98-4) is a chemical compound with molecular formula C13H10ClF6NO4 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate
Also Known As: methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate, methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-((3-(trifluoromethyl)phenyl)amino)butanoate, methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-{[3-(trifluoromethyl)phenyl]amino}butanoate
| Molecular Formula | C13H10ClF6NO4 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 2.7177 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.02026 |
| Heavy Atoms | 25 |
| Complexity | 662.65466 |
Chemical Identifiers
| CAS Number | 515857-98-4 |
|---|---|
| SMILES | COC(=O)C(C(C(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl)(C(F)(F)F)O |
Product Overview
methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate (CAS 515857-98-4), with molecular formula C13H10ClF6NO4 and molecular weight 393.02 g/mol. IUPAC: methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate.
Chemical Property Profile of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate
Property Insights of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate
The XLogP value of 2.7177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate. Following Lipinski's Rule of Five, methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate has 2 hydrogen bond donor(s) and 4 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 methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate?
The CAS number of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate is 515857-98-4.
What is the molecular formula of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular formula of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate is C13H10ClF6NO4.
What is the molecular weight of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate?
The molecular weight of methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate is 393.02 g/mol.
Where can I buy methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate?
You can request a quote for methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)-4-[3-(trifluoromethyl)anilino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.