2-Ethyl-3-oxoisoindoline-4-carboxylic acid
TL;DR: 2-Ethyl-3-oxoisoindoline-4-carboxylic acid (CAS 904459-84-3) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-oxo-1H-isoindole-4-carboxylic acid
Also Known As: ChemDiv3_009982, 2-Ethyl-3-oxoisoindoline-4-carboxylic acid, 2-ethyl-3-oxo-4-isoindolinecarboxylic acid, IDI1_027892, 2-ethyl-3-oxo-1H-isoindole-4-carboxylic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.3605 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 439.45923 |
Chemical Identifiers
| CAS Number | 904459-84-3 |
|---|---|
| SMILES | CCN1CC2=C(C1=O)C(=CC=C2)C(=O)O |
Product Overview
2-Ethyl-3-oxoisoindoline-4-carboxylic acid (CAS 904459-84-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 2-ethyl-3-oxo-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid
Property Insights of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid
The XLogP value of 1.3605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-oxoisoindoline-4-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-Ethyl-3-oxoisoindoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3-oxoisoindoline-4-carboxylic 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 2-Ethyl-3-oxoisoindoline-4-carboxylic acid?
The CAS number of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid is 904459-84-3.
What is the molecular formula of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid?
The molecular formula of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid is C11H11NO3.
What is the molecular weight of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid?
The molecular weight of 2-Ethyl-3-oxoisoindoline-4-carboxylic acid is 205.07 g/mol.
Where can I buy 2-Ethyl-3-oxoisoindoline-4-carboxylic acid?
You can request a quote for 2-Ethyl-3-oxoisoindoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3-oxoisoindoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-oxoisoindoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.