Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate (CAS 305864-35-1) is a chemical compound with molecular formula C14H16F3NO5 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-phenoxy-2-(propan-2-yloxycarbonylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate, methyl 3,3,3-trifluoro-2-phenoxy-2-(propan-2-yloxycarbonylamino)propanoate
| Molecular Formula | C14H16F3NO5 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 2.6316 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.09805 |
| Heavy Atoms | 23 |
| Complexity | 547.09375 |
Chemical Identifiers
| CAS Number | 305864-35-1 |
|---|---|
| SMILES | CC(C)OC(=O)NC(C(=O)OC)(C(F)(F)F)OC1=CC=CC=C1 |
Product Overview
Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate (CAS 305864-35-1), with molecular formula C14H16F3NO5 and molecular weight 335.10 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-phenoxy-2-(propan-2-yloxycarbonylamino)propanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate
The XLogP value of 2.6316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate has 1 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-phenoxypropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate is 305864-35-1.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate is C14H16F3NO5.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate is 335.10 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate 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-phenoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-phenoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.