1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid
TL;DR: 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid (CAS 101004-93-7) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
Also Known As: 3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, 3-Methyl-2-(1-oxoisoindolin-2-yl)butanoic acid, methyloxodihydroisoindolylbutanoicacid, 3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid, 3-methyl-2-(1-oxo-3H-isoindol-2-yl)butanoic acid
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.7516 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 467.4873 |
Chemical Identifiers
| CAS Number | 101004-93-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O |
Product Overview
1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid (CAS 101004-93-7), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid.
Chemical Property Profile of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid
Property Insights of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid
The XLogP value of 1.7516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid has 1 hydrogen bond donor(s) and 2 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 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid?
The CAS number of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid is 101004-93-7.
What is the molecular formula of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid?
The molecular formula of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid is C13H15NO3.
What is the molecular weight of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid?
The molecular weight of 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid is 233.11 g/mol.
Where can I buy 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid?
You can request a quote for 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.