![methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate structure](/static/products/369/369607-16-9.png)
methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
TL;DR: methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate (CAS 369607-16-9) is a chemical compound with molecular formula C13H14ClF3N2O4 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: methyl 2-((4-chlorophenyl)amino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate, methyl 2-(4-chloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate, methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
| Molecular Formula | C13H14ClF3N2O4 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 2.9296 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.05942 |
| Heavy Atoms | 23 |
| Complexity | 565.3332 |
Chemical Identifiers
| CAS Number | 369607-16-9 |
|---|---|
| SMILES | CCOC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=C(C=C1)Cl |
Product Overview
methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate (CAS 369607-16-9), with molecular formula C13H14ClF3N2O4 and molecular weight 354.06 g/mol. IUPAC: methyl 2-(4-chloroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
Property Insights of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate
The XLogP value of 2.9296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate has 2 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 methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The CAS number of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is 369607-16-9.
What is the molecular formula of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The molecular formula of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is C13H14ClF3N2O4.
What is the molecular weight of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
The molecular weight of methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate is 354.06 g/mol.
Where can I buy methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
You can request a quote for methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(4-chlorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.