Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate (CAS 355146-22-4) is a chemical compound with molecular formula C18H25F3N2O6 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate, ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate, ethyl N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-ethoxy-3,3,3-trifluoroalaninate, ETHYL 2-({[2-(3,4-DIMETHOXYPHENYL)ETHYL]CARBAMOYL}AMINO)-2-ETHOXY-3,3,3-TRIFLUOROPROPANOATE, ethyl 2-({N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}amino)-2-ethoxy-3,3,3-trif luoropropanoate
| Molecular Formula | C18H25F3N2O6 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 2.4037 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.16647 |
| Heavy Atoms | 29 |
| Complexity | 698.6643 |
Chemical Identifiers
| CAS Number | 355146-22-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NCCC1=CC(=C(C=C1)OC)OC)OCC |
Product Overview
Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate (CAS 355146-22-4), with molecular formula C18H25F3N2O6 and molecular weight 422.17 g/mol. IUPAC: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate
The XLogP value of 2.4037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate has 2 hydrogen bond donor(s) and 6 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-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate is 355146-22-4.
What is the molecular formula of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate is C18H25F3N2O6.
What is the molecular weight of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate is 422.17 g/mol.
Where can I buy Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-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-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(3,4-dimethoxyphenethyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.