![Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate structure](/static/products/1265/126535-92-0.webp)
Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate (CAS 126535-92-0) is a chemical compound with molecular formula C13H12F3NO4 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate
Also Known As: ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate, ethyl 3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate, ethyl (2E)-2-benzyloxycarbonylimino-3,3,3-trifluoro-propanoate, Ethyl 2-(((benzyloxy)carbonyl)imino)-3,3,3-trifluoropropanoate, ethyl 2-(benzyloxycarbonylimino)-3,3,3-trifluoropropanoate
| Molecular Formula | C13H12F3NO4 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.8896 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.07184 |
| Heavy Atoms | 21 |
| Complexity | 525.96796 |
Chemical Identifiers
| CAS Number | 126535-92-0 |
|---|---|
| SMILES | CCOC(=O)C(=NC(=O)OCC1=CC=CC=C1)C(F)(F)F |
Product Overview
Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate (CAS 126535-92-0), with molecular formula C13H12F3NO4 and molecular weight 303.07 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate.
Chemical Property Profile of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate
The XLogP value of 2.8896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate has 0 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-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate is 126535-92-0.
What is the molecular formula of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate is C13H12F3NO4.
What is the molecular weight of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate is 303.07 g/mol.
Where can I buy Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-{[(benzyloxy)carbonyl]imino}-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-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(benzyloxy)carbonyl]imino}-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.