(2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
TL;DR: (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid (CAS 111104-28-0) is a chemical compound with molecular formula C13H11Cl2NO4 and molecular weight 315.0065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
Also Known As: (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid, (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid, (2S)-2-(5,6-dichloro-1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanoic acid, (2S)-2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid, 2-(5,6-dichloro-1,3-dioxo-isoindol-2-yl)-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C13H11Cl2NO4 |
| Molecular Weight | 315.0065 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0065 Da |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| SMILES | CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl |
| InChIKey | JVVPEDTYVHWUKV-JTQLQIEISA-N |
Chemical Property Profile of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
Property Insights of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
The XLogP value of 3.1 indicates that (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid?
The CAS number of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid is 111104-28-0.
What is the molecular formula of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid?
The molecular formula of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid is C13H11Cl2NO4.
What is the molecular weight of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid?
The molecular weight of (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid is 315.0065 g/mol.
Where can I buy (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid?
You can request a quote for (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.