Vinyl-butyral
TL;DR: Vinyl-butyral (CAS 27598-96-5) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbut-3-enal
Also Known As: vinyl-butyral, Butanal,ethenyl, 2-ethylbut-3-enal, Butanal, ethenyl-, Vinylbutyraldehydlosung
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.3975 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 58.580273 |
Chemical Identifiers
| CAS Number | 27598-96-5 |
|---|---|
| SMILES | CCC(C=C)C=O |
Product Overview
Vinyl-butyral (CAS 27598-96-5), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 2-ethylbut-3-enal.
Chemical Property Profile of Vinyl-butyral
Property Insights of Vinyl-butyral
The XLogP value of 1.3975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl-butyral. With a topological polar surface area (TPSA) of 17.07 Ų, Vinyl-butyral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl-butyral has 0 hydrogen bond donor(s) and 1 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-butyral?
The CAS number of Vinyl-butyral is 27598-96-5.
What is the molecular formula of Vinyl-butyral?
The molecular formula of Vinyl-butyral is C6H10O.
What is the molecular weight of Vinyl-butyral?
The molecular weight of Vinyl-butyral is 98.07 g/mol.
Where can I buy Vinyl-butyral?
You can request a quote for Vinyl-butyral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl-butyral?
Yes, KEHONG BIO provides custom synthesis services for Vinyl-butyral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.