4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid
TL;DR: 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid (CAS 114149-35-8) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(2-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
Also Known As: 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid, 1H-Indene-5-butanoic acid, 2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-gamma-oxo-, 2,3-Dihydro-2-(((4-methylphenyl)sulfonyl)amino)-gamma-oxo-1H-indene-5-butanoic acid, 4-[2-(2-Methylbenzene-1-sulfonamido)-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid, 4-[2-[(2-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 2.48822 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 997.1817 |
Chemical Identifiers
| CAS Number | 114149-35-8 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)NC2CC3=C(C2)C=C(C=C3)C(=O)CCC(=O)O |
Product Overview
4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid (CAS 114149-35-8), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 4-[2-[(2-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid
Property Insights of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid
The XLogP value of 2.48822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid. Following Lipinski's Rule of Five, 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid has 2 hydrogen bond donor(s) and 4 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 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid?
The CAS number of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid is 114149-35-8.
What is the molecular formula of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid?
The molecular formula of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid is C20H21NO5S.
What is the molecular weight of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid?
The molecular weight of 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid is 387.11 g/mol.
Where can I buy 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid?
You can request a quote for 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-p-Toluenesulphonamido-indan-5-yl)-4-oxobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.