ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate (CAS 305864-67-9) is a chemical compound with molecular formula C23H21F3N2O4 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methyl(naphthalen-2-ylcarbamoyl)amino]phenyl]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate, Ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methyl-(naphthalen-2-ylcarbamoyl)amino)phenyl]propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methyl(naphthalen-2-ylcarbamoyl)amino]phenyl]propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(N-(2-naphthyl)carbamoyl)amino]phe nyl}propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[methyl(naphthalen-2-ylcarbamoyl)amino]phenyl}propanoate
| Molecular Formula | C23H21F3N2O4 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 4.8211 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.14536 |
| Heavy Atoms | 32 |
| Complexity | 1132.0397 |
Chemical Identifiers
| CAS Number | 305864-67-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)N(C)C(=O)NC2=CC3=CC=CC=C3C=C2)(C(F)(F)F)O |
Product Overview
ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate (CAS 305864-67-9), with molecular formula C23H21F3N2O4 and molecular weight 446.15 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methyl(naphthalen-2-ylcarbamoyl)amino]phenyl]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate
The XLogP value of 4.8211 indicates that ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate 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 ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate is 305864-67-9.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate is C23H21F3N2O4.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate is 446.15 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(1-methyl-3-(naphthalen-2-yl)ureido)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.