![methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate structure](/static/products/328/328072-36-2.png)
methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate
TL;DR: methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate (CAS 328072-36-2) is a chemical compound with molecular formula C17H14F6N2O4S and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate
Also Known As: methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate, methyl 3,3,3-trifluoro-2-(phenylsulfonamido)-2-((4-(trifluoromethyl)phenyl)amino)propanoate, methyl 3,3,3-trifluoro-N-(phenylsulfonyl)-2-{[4-(trifluoromethyl)phenyl]amino}alaninate
| Molecular Formula | C17H14F6N2O4S |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 3.5274 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.05786 |
| Heavy Atoms | 30 |
| Complexity | 991.64874 |
Chemical Identifiers
| CAS Number | 328072-36-2 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate (CAS 328072-36-2), with molecular formula C17H14F6N2O4S and molecular weight 456.06 g/mol. IUPAC: methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate
Property Insights of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate
The XLogP value of 3.5274 indicates that methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate. Following Lipinski's Rule of Five, methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate has 2 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 methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate?
The CAS number of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate is 328072-36-2.
What is the molecular formula of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate?
The molecular formula of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate is C17H14F6N2O4S.
What is the molecular weight of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate?
The molecular weight of methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate is 456.06 g/mol.
Where can I buy methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate?
You can request a quote for methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.