(2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid
TL;DR: (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid (CAS 85979-23-3) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid
Also Known As: (2S)-3-(1H-INDOL-3-YL)-2-(3-METHYLBENZENESULFONAMIDO)PROPANOIC ACID, (2S)-3-(1H-indol-3-yl)-2-{[(3-methylphenyl)sulfonyl]amino}propanoic acid, (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid, 3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic Acid, (2S)-3-(1H-INDOL-3-YL)-2-(3-METHYLBENZENESULFONAMIDO)PROPANOICACID
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.45052 |
| Topological Polar Surface Area | 99.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 1024.242 |
Chemical Identifiers
| CAS Number | 85979-23-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O |
Product Overview
(2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid (CAS 85979-23-3), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid
Property Insights of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid
The XLogP value of 2.45052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid. The TPSA of 99.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid has 3 hydrogen bond donor(s) and 3 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 (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid?
The CAS number of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid is 85979-23-3.
What is the molecular formula of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid?
The molecular formula of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid is C18H18N2O4S.
What is the molecular weight of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid?
The molecular weight of (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid is 358.10 g/mol.
Where can I buy (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid?
You can request a quote for (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-(1H-Indol-3-YL)-2-(3-methylbenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.