Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate (CAS 370071-14-0) is a chemical compound with molecular formula C18H17F3N2O3S and molecular weight 398.09 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-(phenylcarbamothioylamino)phenyl]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(phenylcarbamothioylamino)phenyl]propanoate
| Molecular Formula | C18H17F3N2O3S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.8085 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0912 |
| Heavy Atoms | 27 |
| Complexity | 797.7492 |
Chemical Identifiers
| CAS Number | 370071-14-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2)(C(F)(F)F)O |
Product Overview
Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate (CAS 370071-14-0), with molecular formula C18H17F3N2O3S and molecular weight 398.09 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(phenylcarbamothioylamino)phenyl]propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate
The XLogP value of 3.8085 indicates that Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate has 3 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-(3-phenylthioureido)phenyl)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate is 370071-14-0.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate is C18H17F3N2O3S.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate is 398.09 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)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-(3-phenylthioureido)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-(3-phenylthioureido)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.