Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate (CAS 369608-07-1) is a chemical compound with molecular formula C16H21F3N2O4 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate, ethyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate, ethyl 3,3,3-trifluoro-2-[(4-methylphenyl)amino]-N-[(propan-2-yloxy)carbonyl]alaninate
| Molecular Formula | C16H21F3N2O4 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 3.36322 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.14536 |
| Heavy Atoms | 25 |
| Complexity | 602.3925 |
Chemical Identifiers
| CAS Number | 369608-07-1 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C)NC(=O)OC(C)C |
Product Overview
Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate (CAS 369608-07-1), with molecular formula C16H21F3N2O4 and molecular weight 362.15 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
The XLogP value of 3.36322 indicates that Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate 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 Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is 369608-07-1.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is C16H21F3N2O4.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is 362.15 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.