Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
TL;DR: Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate (CAS 372173-28-9) is a chemical compound with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate, methyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate, methyl 3,3,3-trifluoro-2-[(4-methylphenyl)amino]-N-[(propan-2-yloxy)carbonyl]alaninate
| Molecular Formula | C15H19F3N2O4 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.97312 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1297 |
| Heavy Atoms | 24 |
| Complexity | 587.37714 |
Chemical Identifiers
| CAS Number | 372173-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)OC(C)C |
Product Overview
Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate (CAS 372173-28-9), with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(4-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
Property Insights of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate
The XLogP value of 2.97312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is 372173-28-9.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is C15H19F3N2O4.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate is 348.13 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
You can request a quote for Methyl 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 Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(p-tolylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.