(S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate
TL;DR: (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate (CAS 255872-13-0) is a chemical compound with molecular formula C21H25F3N2O5S and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylamino]-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate, ethyl 3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylamino]-2-[(4-methylphenyl)sulfonylamino]propanoate, ethyl 3,3,3-trifluoro-2-{[2-(4-methoxyphenyl)ethyl]amino}-N-[(4-methylphenyl)sulfonyl]alaninate
| Molecular Formula | C21H25F3N2O5S |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 2.93592 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.14362 |
| Heavy Atoms | 32 |
| Complexity | 1009.22577 |
Chemical Identifiers
| CAS Number | 255872-13-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCCC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
(S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate (CAS 255872-13-0), with molecular formula C21H25F3N2O5S and molecular weight 474.14 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[2-(4-methoxyphenyl)ethylamino]-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate
Property Insights of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate
The XLogP value of 2.93592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate. Following Lipinski's Rule of Five, (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate has 2 hydrogen bond donor(s) and 6 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 (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate?
The CAS number of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate is 255872-13-0.
What is the molecular formula of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate?
The molecular formula of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate is C21H25F3N2O5S.
What is the molecular weight of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate?
The molecular weight of (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate is 474.14 g/mol.
Where can I buy (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate?
You can request a quote for (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 3,3,3-trifluoro-2-((4-methoxyphenethyl)amino)-2-(4-methylphenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.