2-Allylisoindoline-5-carboxylic acid
TL;DR: 2-Allylisoindoline-5-carboxylic acid (CAS 376378-38-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enyl-1,3-dihydroisoindole-5-carboxylic acid
Also Known As: ChemDiv2_001578, 2-Allylisoindoline-5-carboxylic acid, 2-prop-2-enyl-1,3-dihydroisoindole-5-carboxylic acid, 2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid, Cambridge id 6659549
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 376378-38-0 |
|---|---|
| SMILES | C=CCN1CC2=C(C1)C=C(C=C2)C(=O)O |
| InChIKey | WHGFCGQHYATRGY-UHFFFAOYSA-N |
Product Overview
2-Allylisoindoline-5-carboxylic acid (CAS 376378-38-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-prop-2-enyl-1,3-dihydroisoindole-5-carboxylic acid.
Chemical Property Profile of 2-Allylisoindoline-5-carboxylic acid
Property Insights of 2-Allylisoindoline-5-carboxylic acid
The XLogP value of -0.8 indicates that 2-Allylisoindoline-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Allylisoindoline-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allylisoindoline-5-carboxylic 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-Allylisoindoline-5-carboxylic acid?
The CAS number of 2-Allylisoindoline-5-carboxylic acid is 376378-38-0.
What is the molecular formula of 2-Allylisoindoline-5-carboxylic acid?
The molecular formula of 2-Allylisoindoline-5-carboxylic acid is C12H13NO2.
What is the molecular weight of 2-Allylisoindoline-5-carboxylic acid?
The molecular weight of 2-Allylisoindoline-5-carboxylic acid is 203.09 g/mol.
Where can I buy 2-Allylisoindoline-5-carboxylic acid?
You can request a quote for 2-Allylisoindoline-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-Allylisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Allylisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.