ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 355147-98-7) is a chemical compound with molecular formula C19H25F3N2O4 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(cyclohexylcarbamoylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-[4-(cyclohexylcarbamoylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-{4-[(cyclohexylcarbamoyl)amino]-3-methylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate, Ethyl 2-[4-(cyclohexylcarbamoylamino)-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate
| Molecular Formula | C19H25F3N2O4 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 3.76222 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.17664 |
| Heavy Atoms | 28 |
| Complexity | 717.62054 |
Chemical Identifiers
| CAS Number | 355147-98-7 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)NC(=O)NC2CCCCC2)C)(C(F)(F)F)O |
Product Overview
ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 355147-98-7), with molecular formula C19H25F3N2O4 and molecular weight 402.18 g/mol. IUPAC: ethyl 2-[4-(cyclohexylcarbamoylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 3.76222 indicates that ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate 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 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 355147-98-7.
What is the molecular formula of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C19H25F3N2O4.
What is the molecular weight of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 402.18 g/mol.
Where can I buy ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-(3-cyclohexylureido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.