Benzyl cyclobutanecarboxylate
TL;DR: Benzyl cyclobutanecarboxylate (CAS 199593-03-8) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl cyclobutanecarboxylate
Also Known As: Benzyl cyclobutanecarboxylate, Benzyl cyclobutanecarboxylate #, Cyclobutanecarboxylic acid, benzyl ester
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 199593-03-8 |
|---|---|
| SMILES | C1CC(C1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | WQOMUTVXBSZYHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl cyclobutanecarboxylate (CAS 199593-03-8), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: benzyl cyclobutanecarboxylate.
Chemical Property Profile of Benzyl cyclobutanecarboxylate
Property Insights of Benzyl cyclobutanecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl cyclobutanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl cyclobutanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl cyclobutanecarboxylate 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 cyclobutanecarboxylate?
The CAS number of Benzyl cyclobutanecarboxylate is 199593-03-8.
What is the molecular formula of Benzyl cyclobutanecarboxylate?
The molecular formula of Benzyl cyclobutanecarboxylate is C12H14O2.
What is the molecular weight of Benzyl cyclobutanecarboxylate?
The molecular weight of Benzyl cyclobutanecarboxylate is 190.10 g/mol.
Where can I buy Benzyl cyclobutanecarboxylate?
You can request a quote for Benzyl cyclobutanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl cyclobutanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl cyclobutanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.