(S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate
TL;DR: (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate (CAS 372091-37-7) is a chemical compound with molecular formula C17H23F3N2O5 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethoxy-3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]propanoate
Also Known As: (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]propanoate, ethyl 2-ethoxy-3,3,3-trifluoro-N-{[2-(4-methoxyphenyl)ethyl]carbamoyl}alaninate, Ethyl 2-ethoxy-3,3,3-trifluoro-2-[(([2-(4-methoxyphenyl)ethyl]amino)carbonyl)amino]propanoate #, Propanoic acid, 2-ethoxy-3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylaminocarbonylamino]-, ethyl ester
| Molecular Formula | C17H23F3N2O5 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.1559 |
| Heavy Atoms | 27 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 372091-37-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NCCC1=CC=C(C=C1)OC)OCC |
| InChIKey | KIZPXDJCQUFAEH-UHFFFAOYSA-N |
Product Overview
(S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate (CAS 372091-37-7), with molecular formula C17H23F3N2O5 and molecular weight 392.16 g/mol. IUPAC: ethyl 2-ethoxy-3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]propanoate.
Chemical Property Profile of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate
Property Insights of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate has 2 hydrogen bond donor(s) and 8 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 (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate?
The CAS number of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate is 372091-37-7.
What is the molecular formula of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate?
The molecular formula of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate is C17H23F3N2O5.
What is the molecular weight of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate?
The molecular weight of (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate is 392.16 g/mol.
Where can I buy (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate?
You can request a quote for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-ethoxy-3,3,3-trifluoro-2-(3-(4-methoxyphenethyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.