![Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate structure](/static/products/5376/537686-87-6.webp)
Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate (CAS 537686-87-6) is a chemical compound with molecular formula C8H11ClF3NO4 and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate, ethyl 2-chloro-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate, ethyl 2-chloro-2-(N-ethoxycarbonylamino)-3,3,3-trifluoropropionate
| Molecular Formula | C8H11ClF3NO4 |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 1.793 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.03287 |
| Heavy Atoms | 17 |
| Complexity | 296.9851 |
Chemical Identifiers
| CAS Number | 537686-87-6 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)Cl |
Product Overview
Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate (CAS 537686-87-6), with molecular formula C8H11ClF3NO4 and molecular weight 277.03 g/mol. IUPAC: ethyl 2-chloro-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
The XLogP value of 1.793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate has 1 hydrogen bond donor(s) and 4 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-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate is 537686-87-6.
What is the molecular formula of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate is C8H11ClF3NO4.
What is the molecular weight of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate is 277.03 g/mol.
Where can I buy Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.