Benzyl cyclopropanecarboxylate
TL;DR: Benzyl cyclopropanecarboxylate (CAS 20121-75-9) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl cyclopropanecarboxylate
Also Known As: Benzyl cyclopropanecarboxylate, Benzyl cyclopropanecarboxylate #, Cyclopropanecarboxylic acid, phenylmethyl ester, Cyclopropanecarboxylic acid, benzyl ester, Cyclopropanecarboxylic acid benzyl ester
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 20121-75-9 |
|---|---|
| SMILES | C1CC1C(=O)OCC2=CC=CC=C2 |
| InChIKey | LEIUFQFSNLHXSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl cyclopropanecarboxylate (CAS 20121-75-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: benzyl cyclopropanecarboxylate.
Chemical Property Profile of Benzyl cyclopropanecarboxylate
Property Insights of Benzyl cyclopropanecarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl cyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl cyclopropanecarboxylate has 0 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 Benzyl cyclopropanecarboxylate?
The CAS number of Benzyl cyclopropanecarboxylate is 20121-75-9.
What is the molecular formula of Benzyl cyclopropanecarboxylate?
The molecular formula of Benzyl cyclopropanecarboxylate is C11H12O2.
What is the molecular weight of Benzyl cyclopropanecarboxylate?
The molecular weight of Benzyl cyclopropanecarboxylate is 176.08 g/mol.
Where can I buy Benzyl cyclopropanecarboxylate?
You can request a quote for Benzyl cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.