2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
TL;DR: 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate (CAS 956544-09-5) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
Also Known As: 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate, [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.5087 |
| Topological Polar Surface Area | 105.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 1196.9446 |
Chemical Identifiers
| CAS Number | 956544-09-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NS(=O)(=O)/C=C/C3=CC=CC=C3 |
Product Overview
2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate (CAS 956544-09-5), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate.
Chemical Property Profile of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
Property Insights of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
The XLogP value of 3.5087 indicates that 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate. Following Lipinski's Rule of Five, 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate 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 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The CAS number of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is 956544-09-5.
What is the molecular formula of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The molecular formula of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is C23H24N2O5S.
What is the molecular weight of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The molecular weight of 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is 440.14 g/mol.
Where can I buy 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
You can request a quote for 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-indol-3-yl)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.