2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 294667-03-1) is a chemical compound with molecular formula C17H9NO4 and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid, BAS 00133028, 2-(3-Ethynyl-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, BIM-0013314.P001, 2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
| Molecular Formula | C17H9NO4 |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05316 |
| Heavy Atoms | 22 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 294667-03-1 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | QASYITPYLMDSCT-UHFFFAOYSA-N |
Product Overview
2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 294667-03-1), with molecular formula C17H9NO4 and molecular weight 291.05 g/mol. IUPAC: 2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-Ethynylphenyl)-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-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 294667-03-1.
What is the molecular formula of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C17H9NO4.
What is the molecular weight of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 291.05 g/mol.
Where can I buy 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(3-Ethynylphenyl)-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-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethynylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.