Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
TL;DR: Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (CAS 489434-40-4) is a chemical compound with molecular formula C12H11ClF3NO4 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Also Known As: methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate, Methyl 2-[(4-chlorophenyl)carbamoylmethyl]-3,3,3-trifluoro-2-hydroxy-propanoate, methyl 4-((4-chlorophenyl)amino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate, methyl 4-[(4-chlorophenyl)amino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
| Molecular Formula | C12H11ClF3NO4 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.135 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.03287 |
| Heavy Atoms | 21 |
| Complexity | 532.29926 |
Chemical Identifiers
| CAS Number | 489434-40-4 |
|---|---|
| SMILES | COC(=O)C(CC(=O)NC1=CC=C(C=C1)Cl)(C(F)(F)F)O |
Product Overview
Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (CAS 489434-40-4), with molecular formula C12H11ClF3NO4 and molecular weight 325.03 g/mol. IUPAC: methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate.
Chemical Property Profile of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Property Insights of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
The XLogP value of 2.135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate. Following Lipinski's Rule of Five, Methyl 4-(4-chloroanilino)-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 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The CAS number of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is 489434-40-4.
What is the molecular formula of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The molecular formula of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is C12H11ClF3NO4.
What is the molecular weight of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The molecular weight of Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is 325.03 g/mol.
Where can I buy Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
You can request a quote for Methyl 4-(4-chloroanilino)-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 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-chloroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.