Vinyl butyrate
TL;DR: Vinyl butyrate (CAS 123-20-6) 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 butanoate
Also Known As: Vinyl butyrate, Vinyl butanoate, ethenyl butanoate, Butanoic acid, ethenyl ester, vinylbutanoate
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| Flash Point | 20.0 °C (NFPA, 2010) |
Chemical Identifiers
| CAS Number | 123-20-6 |
|---|---|
| SMILES | CCCC(=O)OC=C |
| InChIKey | MEGHWIAOTJPCHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl butyrate (CAS 123-20-6), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: ethenyl butanoate.
Chemical Property Profile of Vinyl butyrate
Property Insights of Vinyl butyrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl butyrate 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 butyrate?
The CAS number of Vinyl butyrate is 123-20-6.
What is the molecular formula of Vinyl butyrate?
The molecular formula of Vinyl butyrate is C6H10O2.
What is the molecular weight of Vinyl butyrate?
The molecular weight of Vinyl butyrate is 114.07 g/mol.
Where can I buy Vinyl butyrate?
You can request a quote for Vinyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.