Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate (CAS 330181-75-4) is a chemical compound with molecular formula C17H16F4N2O4S and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate
Also Known As: ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate, ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate, ethyl 3,3,3-trifluoro-2-[(4-fluorophenyl)amino]-N-(phenylsulfonyl)alaninate
| Molecular Formula | C17H16F4N2O4S |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 3.0378 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.0767 |
| Heavy Atoms | 28 |
| Complexity | 918.4236 |
Chemical Identifiers
| CAS Number | 330181-75-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate (CAS 330181-75-4), with molecular formula C17H16F4N2O4S and molecular weight 420.08 g/mol. IUPAC: ethyl 2-(benzenesulfonamido)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate
The XLogP value of 3.0378 indicates that Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)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 Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)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 Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate is 330181-75-4.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate is C17H16F4N2O4S.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate is 420.08 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)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-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-((4-fluorophenyl)amino)-2-(phenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.