Allyl sorbate
TL;DR: Allyl sorbate (CAS 71617-07-7) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl (2E,4E)-hexa-2,4-dienoate
Also Known As: ALLYL SORBATE, Allyl hexadienoate, Allyl 2,4-hexadienoate, Sorbic acid, allyl ester, Allyl hexa-2,4-dienoate
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.8479 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 178.00175 |
Chemical Identifiers
| CAS Number | 71617-07-7 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)OCC=C |
Product Overview
Allyl sorbate (CAS 71617-07-7), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: prop-2-enyl (2E,4E)-hexa-2,4-dienoate.
Chemical Property Profile of Allyl sorbate
Property Insights of Allyl sorbate
The XLogP value of 1.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl sorbate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl sorbate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl sorbate 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 sorbate?
The CAS number of Allyl sorbate is 71617-07-7.
What is the molecular formula of Allyl sorbate?
The molecular formula of Allyl sorbate is C9H12O2.
What is the molecular weight of Allyl sorbate?
The molecular weight of Allyl sorbate is 152.08 g/mol.
Where can I buy Allyl sorbate?
You can request a quote for Allyl sorbate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl sorbate?
Yes, KEHONG BIO provides custom synthesis services for Allyl sorbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.