![2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate structure](/static/products/5748/5748-13-0.webp)
2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate (CAS 5748-13-0) is a chemical compound with molecular formula C18H15ClF3NO5S and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
Also Known As: 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate, [2-(4-chlorophenyl)-2-oxo-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate, [2-(4-chlorophenyl)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
| Molecular Formula | C18H15ClF3NO5S |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | 3.4533 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.03116 |
| Heavy Atoms | 29 |
| Complexity | 991.30133 |
Chemical Identifiers
| CAS Number | 5748-13-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)C(F)(F)F |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate (CAS 5748-13-0), with molecular formula C18H15ClF3NO5S and molecular weight 449.03 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate
The XLogP value of 3.4533 indicates that 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate has 1 hydrogen bond donor(s) and 5 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 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate is 5748-13-0.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate is C18H15ClF3NO5S.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate is 449.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.