Vinyl isobutyrate
TL;DR: Vinyl isobutyrate (CAS 2424-98-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2-methylpropanoate
Also Known As: Vinyl isobutyrate, Ethenyl 2-methylpropanoate, vinylisobutyrate, vinyl isobutanoate, vinyl 2-methylpropanoate
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 2424-98-8 |
|---|---|
| SMILES | CC(C)C(=O)OC=C |
| InChIKey | WNMORWGTPVWAIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl isobutyrate (CAS 2424-98-8), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: ethenyl 2-methylpropanoate.
Chemical Property Profile of Vinyl isobutyrate
Property Insights of Vinyl isobutyrate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl isobutyrate 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 Vinyl isobutyrate?
The CAS number of Vinyl isobutyrate is 2424-98-8.
What is the molecular formula of Vinyl isobutyrate?
The molecular formula of Vinyl isobutyrate is C6H10O2.
What is the molecular weight of Vinyl isobutyrate?
The molecular weight of Vinyl isobutyrate is 114.07 g/mol.
Where can I buy Vinyl isobutyrate?
You can request a quote for Vinyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.