2-Allylisoindoline-5-carboxylic acid hydrochloride
TL;DR: 2-Allylisoindoline-5-carboxylic acid hydrochloride (CAS 1185353-19-8) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-prop-2-enyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride
Also Known As: 2-allylisoindoline-5-carboxylic acid hydrochloride
Technical Specifications
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.0713 g/mol |
| XLogP | 2.3082 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0713 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | C=CCN1CC2=C(C1)C=C(C=C2)C(=O)O.Cl |
| InChIKey | DWDUZEAUFPGIJF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Allylisoindoline-5-carboxylic acid hydrochloride
Property Insights of 2-Allylisoindoline-5-carboxylic acid hydrochloride
The XLogP value of 2.3082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Allylisoindoline-5-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Allylisoindoline-5-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allylisoindoline-5-carboxylic acid hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Allylisoindoline-5-carboxylic acid hydrochloride?
The CAS number of 2-Allylisoindoline-5-carboxylic acid hydrochloride is 1185353-19-8.
What is the molecular formula of 2-Allylisoindoline-5-carboxylic acid hydrochloride?
The molecular formula of 2-Allylisoindoline-5-carboxylic acid hydrochloride is C12H14ClNO2.
What is the molecular weight of 2-Allylisoindoline-5-carboxylic acid hydrochloride?
The molecular weight of 2-Allylisoindoline-5-carboxylic acid hydrochloride is 239.0713 g/mol.
Where can I buy 2-Allylisoindoline-5-carboxylic acid hydrochloride?
You can request a quote for 2-Allylisoindoline-5-carboxylic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Allylisoindoline-5-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-Allylisoindoline-5-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.