1,3-Butadienyl acetate, (1E)-
TL;DR: 1,3-Butadienyl acetate, (1E)- (CAS 35694-20-3) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1E)-buta-1,3-dienyl] acetate
Also Known As: 1-Acetoxy-1,3-butadiene, Butadienyl acetate, 1,3-Butadienyl acetate, 1-Acetoxybutadiene, trans-1-Acetoxybutadiene
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.2492 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 113.696945 |
Chemical Identifiers
| CAS Number | 35694-20-3 |
|---|---|
| SMILES | CC(=O)O/C=C/C=C |
Product Overview
1,3-Butadienyl acetate, (1E)- (CAS 35694-20-3), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: [(1E)-buta-1,3-dienyl] acetate.
Chemical Property Profile of 1,3-Butadienyl acetate, (1E)-
Property Insights of 1,3-Butadienyl acetate, (1E)-
The XLogP value of 1.2492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadienyl acetate, (1E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3-Butadienyl acetate, (1E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadienyl acetate, (1E)- 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 1,3-Butadienyl acetate, (1E)-?
The CAS number of 1,3-Butadienyl acetate, (1E)- is 35694-20-3.
What is the molecular formula of 1,3-Butadienyl acetate, (1E)-?
The molecular formula of 1,3-Butadienyl acetate, (1E)- is C6H8O2.
What is the molecular weight of 1,3-Butadienyl acetate, (1E)-?
The molecular weight of 1,3-Butadienyl acetate, (1E)- is 112.05 g/mol.
Where can I buy 1,3-Butadienyl acetate, (1E)-?
You can request a quote for 1,3-Butadienyl acetate, (1E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadienyl acetate, (1E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadienyl acetate, (1E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.