Allyl 3-(acetoxy)but-3-enoate
TL;DR: Allyl 3-(acetoxy)but-3-enoate (CAS 85455-69-2) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-acetyloxybut-3-enoate
Also Known As: Allyl 3-(acetoxy)but-3-enoate, EINECS 287-303-3, prop-2-enyl 3-acetyloxybut-3-enoate, PROP-2-EN-1-YL 3-(ACETYLOXY)BUT-3-ENOATE, 3-(Acetyloxy)-3-butenoic acid 2-propenyl ester
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.1825 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 229.7692 |
Chemical Identifiers
| CAS Number | 85455-69-2 |
|---|---|
| SMILES | CC(=O)OC(=C)CC(=O)OCC=C |
Product Overview
Allyl 3-(acetoxy)but-3-enoate (CAS 85455-69-2), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: prop-2-enyl 3-acetyloxybut-3-enoate.
Chemical Property Profile of Allyl 3-(acetoxy)but-3-enoate
Property Insights of Allyl 3-(acetoxy)but-3-enoate
The XLogP value of 1.1825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 3-(acetoxy)but-3-enoate. With a topological polar surface area (TPSA) of 52.6 Ų, Allyl 3-(acetoxy)but-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 3-(acetoxy)but-3-enoate has 0 hydrogen bond donor(s) and 4 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 Allyl 3-(acetoxy)but-3-enoate?
The CAS number of Allyl 3-(acetoxy)but-3-enoate is 85455-69-2.
What is the molecular formula of Allyl 3-(acetoxy)but-3-enoate?
The molecular formula of Allyl 3-(acetoxy)but-3-enoate is C9H12O4.
What is the molecular weight of Allyl 3-(acetoxy)but-3-enoate?
The molecular weight of Allyl 3-(acetoxy)but-3-enoate is 184.07 g/mol.
Where can I buy Allyl 3-(acetoxy)but-3-enoate?
You can request a quote for Allyl 3-(acetoxy)but-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 3-(acetoxy)but-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 3-(acetoxy)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.