Cyclobutylmethyl acetate
TL;DR: Cyclobutylmethyl acetate (CAS 40283-89-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclobutylmethyl acetate
Also Known As: cyclobutylmethyl acetate, Cyclobutyl-methylacetat, cyclobutyl methyl acetate, 1-(Acetoxymethyl)cyclobutane, RefChem:334980
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 40283-89-4 |
|---|---|
| SMILES | CC(=O)OCC1CCC1 |
| InChIKey | WOWKTMXTTIYGBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclobutylmethyl acetate (CAS 40283-89-4), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: cyclobutylmethyl acetate.
Chemical Property Profile of Cyclobutylmethyl acetate
Property Insights of Cyclobutylmethyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutylmethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclobutylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutylmethyl acetate 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 Cyclobutylmethyl acetate?
The CAS number of Cyclobutylmethyl acetate is 40283-89-4.
What is the molecular formula of Cyclobutylmethyl acetate?
The molecular formula of Cyclobutylmethyl acetate is C7H12O2.
What is the molecular weight of Cyclobutylmethyl acetate?
The molecular weight of Cyclobutylmethyl acetate is 128.08 g/mol.
Where can I buy Cyclobutylmethyl acetate?
You can request a quote for Cyclobutylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.