Phenyl cyclobutanecarboxylate
TL;DR: Phenyl cyclobutanecarboxylate (CAS 30466-31-0) 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.
phenyl cyclobutanecarboxylate
Also Known As: Phenyl cyclobutanecarboxylate, Phenyl cyclobutanecarboxylate #, cyclobutanecarboxylic acid phenyl ester, Cyclobutanecarboxylic acid, phenyl ester
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 30466-31-0 |
|---|---|
| SMILES | C1CC(C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | QSPUUVAPVKVXFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl cyclobutanecarboxylate (CAS 30466-31-0), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: phenyl cyclobutanecarboxylate.
Chemical Property Profile of Phenyl cyclobutanecarboxylate
Property Insights of Phenyl cyclobutanecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl cyclobutanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl cyclobutanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl cyclobutanecarboxylate?
The CAS number of Phenyl cyclobutanecarboxylate is 30466-31-0.
What is the molecular formula of Phenyl cyclobutanecarboxylate?
The molecular formula of Phenyl cyclobutanecarboxylate is C11H12O2.
What is the molecular weight of Phenyl cyclobutanecarboxylate?
The molecular weight of Phenyl cyclobutanecarboxylate is 176.08 g/mol.
Where can I buy Phenyl cyclobutanecarboxylate?
You can request a quote for Phenyl cyclobutanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl cyclobutanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl cyclobutanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.