Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate
TL;DR: Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate (CAS 327099-83-2) is a chemical compound with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-phenoxypropanoate
Also Known As: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-phenoxypropanoate, methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate
| Molecular Formula | C13H14F3NO5 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.2431 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0824 |
| Heavy Atoms | 22 |
| Complexity | 520.15686 |
Chemical Identifiers
| CAS Number | 327099-83-2 |
|---|---|
| SMILES | CCOC(=O)NC(C(=O)OC)(C(F)(F)F)OC1=CC=CC=C1 |
Product Overview
Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate (CAS 327099-83-2), with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol. IUPAC: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-phenoxypropanoate.
Chemical Property Profile of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate
Property Insights of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate
The XLogP value of 2.2431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate. Following Lipinski's Rule of Five, Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-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 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate?
The CAS number of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate is 327099-83-2.
What is the molecular formula of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate?
The molecular formula of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate is C13H14F3NO5.
What is the molecular weight of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate?
The molecular weight of Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate is 321.08 g/mol.
Where can I buy Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate?
You can request a quote for Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-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 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-phenoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.