2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester
TL;DR: 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester (CAS 126535-90-8) is a chemical compound with molecular formula C10H14F3NO4 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
Also Known As: 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester, ethyl 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate, ETHYL 2-[(TERT-BUTOXYCARBONYL)IMINO]-3,3,3-TRIFLUOROPROPANOATE, ETHYL 2-[TERT-BUTOXYCARBONYLIMINO]-3,3,3-TRIFLUORO-PROPIONATE, Ethyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate
| Molecular Formula | C10H14F3NO4 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 2.4879 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0875 |
| Heavy Atoms | 18 |
| Complexity | 355.11475 |
Chemical Identifiers
| CAS Number | 126535-90-8 |
|---|---|
| SMILES | CCOC(=O)C(=NC(=O)OC(C)(C)C)C(F)(F)F |
Product Overview
2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester (CAS 126535-90-8), with molecular formula C10H14F3NO4 and molecular weight 269.09 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.
Chemical Property Profile of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester
Property Insights of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester
The XLogP value of 2.4879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester. Following Lipinski's Rule of Five, 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester 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 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester?
The CAS number of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester is 126535-90-8.
What is the molecular formula of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester?
The molecular formula of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester is C10H14F3NO4.
What is the molecular weight of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester?
The molecular weight of 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester is 269.09 g/mol.
Where can I buy 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester?
You can request a quote for 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butoxycarbonylimino-3,3,3-trifluoro-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.