2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid (CAS 137247-85-9) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-ethyl-1,3-dioxoisoindoline-5-carboxylic acid, 2-ethyl-1,3-dioxoisoindole-5-carboxylic acid, 2-ethyl-1,3-dioxoisoindoline-5-carboxylicacid, 1H-Isoindole-5-carboxylic acid, 2-ethyl-2,3-dihydro-1,3-dioxo-, 2-ethyl-1,3-dioxo-5-isoindolinecarboxylic acid
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 137247-85-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
| InChIKey | FMHDMAFJLDZEKG-UHFFFAOYSA-N |
Product Overview
2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid (CAS 137247-85-9), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 2-ethyl-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic 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-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid is 137247-85-9.
What is the molecular formula of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid is C11H9NO4.
What is the molecular weight of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid is 219.05 g/mol.
Where can I buy 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-Ethyl-1,3-dioxoisoindoline-5-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-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.