2-Benzoylcyclopropane-1-carboxylic acid
TL;DR: 2-Benzoylcyclopropane-1-carboxylic acid (CAS 1601-82-7) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylcyclopropane-1-carboxylic acid
Also Known As: 2-BENZOYL-CYCLOPROPANECARBOXYLIC ACID, 2-benzoylcyclopropanecarboxylic acid, 2-benzoylcyclopropane-1-carboxylic acid, cis-2-Benzoyl-cyclopropanecarboxylic acid, Trans-2-benzoyl-cyclopropanecarboxylic acid
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 1601-82-7 |
|---|---|
| SMILES | C1C(C1C(=O)O)C(=O)C2=CC=CC=C2 |
| InChIKey | LKZSGYYDOQYLNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoylcyclopropane-1-carboxylic acid (CAS 1601-82-7), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 2-benzoylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 2-Benzoylcyclopropane-1-carboxylic acid
Property Insights of 2-Benzoylcyclopropane-1-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoylcyclopropane-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Benzoylcyclopropane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoylcyclopropane-1-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-Benzoylcyclopropane-1-carboxylic acid?
The CAS number of 2-Benzoylcyclopropane-1-carboxylic acid is 1601-82-7.
What is the molecular formula of 2-Benzoylcyclopropane-1-carboxylic acid?
The molecular formula of 2-Benzoylcyclopropane-1-carboxylic acid is C11H10O3.
What is the molecular weight of 2-Benzoylcyclopropane-1-carboxylic acid?
The molecular weight of 2-Benzoylcyclopropane-1-carboxylic acid is 190.06 g/mol.
Where can I buy 2-Benzoylcyclopropane-1-carboxylic acid?
You can request a quote for 2-Benzoylcyclopropane-1-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-Benzoylcyclopropane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylcyclopropane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.