3-Methylenecyclobutylacetate
TL;DR: 3-Methylenecyclobutylacetate (CAS 18218-27-4) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylidenecyclobutyl) acetate
Also Known As: 3-Methylenecyclobutylacetate, 3-methylidenecyclobutyl acetate, (3-methylidenecyclobutyl) acetate, 3-methylidenecyclobutylacetate, Acetic acid 3-methylenecyclobutyl ester
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 18218-27-4 |
|---|---|
| SMILES | CC(=O)OC1CC(=C)C1 |
| InChIKey | GECKEGSNKRNFFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylenecyclobutylacetate (CAS 18218-27-4), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: (3-methylidenecyclobutyl) acetate.
Chemical Property Profile of 3-Methylenecyclobutylacetate
Property Insights of 3-Methylenecyclobutylacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylenecyclobutylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylenecyclobutylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylenecyclobutylacetate 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 3-Methylenecyclobutylacetate?
The CAS number of 3-Methylenecyclobutylacetate is 18218-27-4.
What is the molecular formula of 3-Methylenecyclobutylacetate?
The molecular formula of 3-Methylenecyclobutylacetate is C7H10O2.
What is the molecular weight of 3-Methylenecyclobutylacetate?
The molecular weight of 3-Methylenecyclobutylacetate is 126.07 g/mol.
Where can I buy 3-Methylenecyclobutylacetate?
You can request a quote for 3-Methylenecyclobutylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylenecyclobutylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylenecyclobutylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.