2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid
TL;DR: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid (CAS 29588-88-3) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
Also Known As: Phthaloyl-L-isoleucine, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid, PHT-ILE-OH, 3-Methyl-2-phthalimidopentanoic acid, 6573AD
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 29588-88-3 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | RUUWUOYPIXTMLF-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid (CAS 29588-88-3), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid.
Chemical Property Profile of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid
Property Insights of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic 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
Frequently Asked Questions
What is the CAS number of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid?
The CAS number of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid is 29588-88-3.
What is the molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid?
The molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid is C14H15NO4.
What is the molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid?
The molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid is 261.10 g/mol.
Where can I buy 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid?
You can request a quote for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.