methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
TL;DR: methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (CAS 515857-75-7) is a chemical compound with molecular formula C12H9Cl3F3NO4 and molecular weight 392.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Also Known As: methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate, methyl 3-chloro-4-((2,4-dichlorophenyl)amino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate, methyl 3-chloro-4-[(2,4-dichlorophenyl)amino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
| Molecular Formula | C12H9Cl3F3NO4 |
|---|---|
| Molecular Weight | 392.95 g/mol |
| LogP | 3.0057 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.95493 |
| Heavy Atoms | 23 |
| Complexity | 626.0587 |
Chemical Identifiers
| CAS Number | 515857-75-7 |
|---|---|
| SMILES | COC(=O)C(C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)Cl)(C(F)(F)F)O |
Product Overview
methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (CAS 515857-75-7), with molecular formula C12H9Cl3F3NO4 and molecular weight 392.95 g/mol. IUPAC: methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate.
Chemical Property Profile of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Property Insights of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
The XLogP value of 3.0057 indicates that methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate. Following Lipinski's Rule of Five, methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)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-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The CAS number of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is 515857-75-7.
What is the molecular formula of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The molecular formula of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is C12H9Cl3F3NO4.
What is the molecular weight of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The molecular weight of methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is 392.95 g/mol.
Where can I buy methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
You can request a quote for methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)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-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-4-(2,4-dichloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.