ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate (CAS 354530-93-1) is a chemical compound with molecular formula C20H21F3N2O7S and molecular weight 490.10 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-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-[3-methoxy-4-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)phenyl]propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-[3-methoxy-4-({N-[(4-methylphenyl)sulfonyl]c arbamoyl}amino)phenyl]propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]propanoate
| Molecular Formula | C20H21F3N2O7S |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 2.82702 |
| Topological Polar Surface Area | 131.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.10214 |
| Heavy Atoms | 33 |
| Complexity | 1135.3376 |
Chemical Identifiers
| CAS Number | 354530-93-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)OC)(C(F)(F)F)O |
Product Overview
ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate (CAS 354530-93-1), with molecular formula C20H21F3N2O7S and molecular weight 490.10 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate
The XLogP value of 2.82702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate. The TPSA of 131.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate has 3 hydrogen bond donor(s) and 7 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-(3-methoxy-4-(3-tosylureido)phenyl)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate is 354530-93-1.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate is C20H21F3N2O7S.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate is 490.10 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)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-(3-methoxy-4-(3-tosylureido)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-methoxy-4-(3-tosylureido)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.