1-Allylcyclopropanecarboxylic acid
TL;DR: 1-Allylcyclopropanecarboxylic acid (CAS 80360-57-2) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylcyclopropane-1-carboxylic acid
Also Known As: 1-Allylcyclopropanecarboxylic acid, 1-(prop-2-en-1-yl)cyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1-prop-2-enylcyclopropane-1-carboxylic acid, 1-Allylcyclopropanecarboxylicacid
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 80360-57-2 |
|---|---|
| SMILES | C=CCC1(CC1)C(=O)O |
| InChIKey | YCHKQUJFRCYZQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allylcyclopropanecarboxylic acid (CAS 80360-57-2), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 1-prop-2-enylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 1-Allylcyclopropanecarboxylic acid
Property Insights of 1-Allylcyclopropanecarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allylcyclopropanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Allylcyclopropanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allylcyclopropanecarboxylic 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 1-Allylcyclopropanecarboxylic acid?
The CAS number of 1-Allylcyclopropanecarboxylic acid is 80360-57-2.
What is the molecular formula of 1-Allylcyclopropanecarboxylic acid?
The molecular formula of 1-Allylcyclopropanecarboxylic acid is C7H10O2.
What is the molecular weight of 1-Allylcyclopropanecarboxylic acid?
The molecular weight of 1-Allylcyclopropanecarboxylic acid is 126.07 g/mol.
Where can I buy 1-Allylcyclopropanecarboxylic acid?
You can request a quote for 1-Allylcyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allylcyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylcyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.