(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
TL;DR: (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid (CAS 58073-26-0) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-dioxoisoindol-2-yl)pentanoic acid
Also Known As: ChemDiv2_000329, (2R)-2-(1,3-dioxoisoindol-2-yl)pentanoic acid, (S)-2-(1,3-Dioxo-2-isoindolinyl)pentanoic Acid, (S)-2-(1,3-Dioxoisoindolin-2-yl)pentanoic acid, [S,(-)]-1,3-Dioxo-alpha-propyl-2-isoindolineacetic acid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.5359 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 488.47745 |
Chemical Identifiers
| CAS Number | 58073-26-0 |
|---|---|
| SMILES | CCC[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid (CAS 58073-26-0), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (2S)-2-(1,3-dioxoisoindol-2-yl)pentanoic acid.
Chemical Property Profile of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
Property Insights of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
The XLogP value of 1.5359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid. Following Lipinski's Rule of Five, (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid has 1 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)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid?
The CAS number of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid is 58073-26-0.
What is the molecular formula of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid?
The molecular formula of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid is C13H13NO4.
What is the molecular weight of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid?
The molecular weight of (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid is 247.08 g/mol.
Where can I buy (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid?
You can request a quote for (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.