Allyl 3-butenoate
TL;DR: Allyl 3-butenoate (CAS 17571-61-8) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl but-3-enoate
Also Known As: allyl 3-butenoate, allyl vinylacetate, prop-2-en-1-yl but-3-enoate, prop-2-enyl but-3-enoate, 3-Butenoic acid allyl ester
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 17571-61-8 |
|---|---|
| SMILES | C=CCC(=O)OCC=C |
| InChIKey | AAKKKMOPCAFJCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 3-butenoate (CAS 17571-61-8), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: prop-2-enyl but-3-enoate.
Chemical Property Profile of Allyl 3-butenoate
Property Insights of Allyl 3-butenoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 3-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 3-butenoate 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 Allyl 3-butenoate?
The CAS number of Allyl 3-butenoate is 17571-61-8.
What is the molecular formula of Allyl 3-butenoate?
The molecular formula of Allyl 3-butenoate is C7H10O2.
What is the molecular weight of Allyl 3-butenoate?
The molecular weight of Allyl 3-butenoate is 126.07 g/mol.
Where can I buy Allyl 3-butenoate?
You can request a quote for Allyl 3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.