![ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate structure](/static/products/331/331632-45-2.png)
ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
TL;DR: ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate (CAS 331632-45-2) is a chemical compound with molecular formula C19H18ClF3N2O3 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate
Also Known As: ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate, (R)-ethyl 2-((4-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methylbenzamido)propanoate, ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate
| Molecular Formula | C19H18ClF3N2O3 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 4.31202 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0958 |
| Heavy Atoms | 28 |
| Complexity | 856.2475 |
Chemical Identifiers
| CAS Number | 331632-45-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC(=C2)C |
Product Overview
ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate (CAS 331632-45-2), with molecular formula C19H18ClF3N2O3 and molecular weight 414.10 g/mol. IUPAC: ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate.
Chemical Property Profile of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
Property Insights of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
The XLogP value of 4.31202 indicates that ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate. Following Lipinski's Rule of Five, ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate 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 ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The CAS number of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is 331632-45-2.
What is the molecular formula of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The molecular formula of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is C19H18ClF3N2O3.
What is the molecular weight of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The molecular weight of ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is 414.10 g/mol.
Where can I buy ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
You can request a quote for ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-chlorophenyl)amino]-3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.