2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid
TL;DR: 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid (CAS 111187-19-0) is a chemical compound with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
Also Known As: ChemDiv2_001038, 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid, AN-919/15527106, 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid, 5,6-Dichloro-1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-2H-isoindole-2-acetic acid
| Molecular Formula | C14H13Cl2NO4 |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 3.0887 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.02216 |
| Heavy Atoms | 21 |
| Complexity | 601.1063 |
Chemical Identifiers
| CAS Number | 111187-19-0 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl |
Product Overview
2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid (CAS 111187-19-0), with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol. IUPAC: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid.
Chemical Property Profile of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid
Property Insights of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid
The XLogP value of 3.0887 indicates that 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic 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 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid?
The CAS number of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid is 111187-19-0.
What is the molecular formula of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid?
The molecular formula of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid is C14H13Cl2NO4.
What is the molecular weight of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid?
The molecular weight of 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid is 329.02 g/mol.
Where can I buy 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid?
You can request a quote for 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-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-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.