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Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate
TL;DR: Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate (CAS 256332-88-4) is a chemical compound with molecular formula C11H18F3NO5 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-propan-2-yloxypropanoate
Also Known As: ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate, ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-propan-2-yloxypropanoate
| Molecular Formula | C11H18F3NO5 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 1.9792 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1137 |
| Heavy Atoms | 20 |
| Complexity | 345.44052 |
Chemical Identifiers
| CAS Number | 256332-88-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)OC(C)C |
Product Overview
Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate (CAS 256332-88-4), with molecular formula C11H18F3NO5 and molecular weight 301.11 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-propan-2-yloxypropanoate.
Chemical Property Profile of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate
Property Insights of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate
The XLogP value of 1.9792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate. Following Lipinski's Rule of Five, Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate 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 Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate?
The CAS number of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate is 256332-88-4.
What is the molecular formula of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate?
The molecular formula of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate is C11H18F3NO5.
What is the molecular weight of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate?
The molecular weight of Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate is 301.11 g/mol.
Where can I buy Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate?
You can request a quote for Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-isopropoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.