2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester
TL;DR: 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester (CAS 305863-89-2) is a chemical compound with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamoylamino)-2-ethoxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(3-benzylureido)-2-ethoxy-3,3,3-trifluoropropanoate, ethyl N-(benzylcarbamoyl)-2-ethoxy-3,3,3-trifluoroalaninate, ethyl 2-(benzylcarbamoylamino)-2-ethoxy-3,3,3-trifluoropropanoate, 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester
| Molecular Formula | C15H19F3N2O4 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.344 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.1297 |
| Heavy Atoms | 24 |
| Complexity | 551.4002 |
Chemical Identifiers
| CAS Number | 305863-89-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NCC1=CC=CC=C1)OCC |
Product Overview
2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester (CAS 305863-89-2), with molecular formula C15H19F3N2O4 and molecular weight 348.13 g/mol. IUPAC: ethyl 2-(benzylcarbamoylamino)-2-ethoxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester
Property Insights of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester
The XLogP value of 2.344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester. Following Lipinski's Rule of Five, 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester has 2 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-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester?
The CAS number of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester is 305863-89-2.
What is the molecular formula of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester?
The molecular formula of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester is C15H19F3N2O4.
What is the molecular weight of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester?
The molecular weight of 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester is 348.13 g/mol.
Where can I buy 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester?
You can request a quote for 2-(3-Benzyl-ureido)-2-ethoxy-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-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzyl-ureido)-2-ethoxy-3,3,3-trifluoro-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.