Cyclobutanecarboxylic acid, 3-benzyl-
TL;DR: Cyclobutanecarboxylic acid, 3-benzyl- (CAS 66016-21-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzylcyclobutane-1-carboxylic acid
Also Known As: 3-Benzylcyclobutanecarboxylic acid, 3-benzylcyclobutane-1-carboxylic acid, 3-Benzyl-cyclobutanecarboxylic acid, 3-Benzylcyclobutanecarboxylicacid, 3-(Phenylmethyl)cyclobutanecarboxylic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | C1C(CC1C(=O)O)CC2=CC=CC=C2 |
| InChIKey | FUQDLNLCZMLBAD-UHFFFAOYSA-N |
Chemical Property Profile of Cyclobutanecarboxylic acid, 3-benzyl-
Property Insights of Cyclobutanecarboxylic acid, 3-benzyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutanecarboxylic acid, 3-benzyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Cyclobutanecarboxylic acid, 3-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutanecarboxylic acid, 3-benzyl- 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
What is the CAS number of Cyclobutanecarboxylic acid, 3-benzyl-?
The CAS number of Cyclobutanecarboxylic acid, 3-benzyl- is 66016-21-5.
What is the molecular formula of Cyclobutanecarboxylic acid, 3-benzyl-?
The molecular formula of Cyclobutanecarboxylic acid, 3-benzyl- is C12H14O2.
What is the molecular weight of Cyclobutanecarboxylic acid, 3-benzyl-?
The molecular weight of Cyclobutanecarboxylic acid, 3-benzyl- is 190.09938 g/mol.
Where can I buy Cyclobutanecarboxylic acid, 3-benzyl-?
You can request a quote for Cyclobutanecarboxylic acid, 3-benzyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclobutanecarboxylic acid, 3-benzyl-?
Yes, CoreyChem provides custom synthesis services for Cyclobutanecarboxylic acid, 3-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.