Sorbyl acetate
TL;DR: Sorbyl acetate (CAS 57006-69-6) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E,4E)-hexa-2,4-dienyl] acetate
Also Known As: Sorbyl acetate, 2,4-Hexadienyl acetate, trans,trans-2,4-Hexadienyl acetate, Hexa-2,4-dienyl acetate, Hexa-2,4-dien-1-yl acetate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.6818 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 145.33658 |
Chemical Identifiers
| CAS Number | 57006-69-6 |
|---|---|
| SMILES | C/C=C/C=C/COC(=O)C |
Product Overview
Sorbyl acetate (CAS 57006-69-6), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: [(2E,4E)-hexa-2,4-dienyl] acetate.
Chemical Property Profile of Sorbyl acetate
Property Insights of Sorbyl acetate
The XLogP value of 1.6818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sorbyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Sorbyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sorbyl acetate 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 Sorbyl acetate?
The CAS number of Sorbyl acetate is 57006-69-6.
What is the molecular formula of Sorbyl acetate?
The molecular formula of Sorbyl acetate is C8H12O2.
What is the molecular weight of Sorbyl acetate?
The molecular weight of Sorbyl acetate is 140.08 g/mol.
Where can I buy Sorbyl acetate?
You can request a quote for Sorbyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Sorbyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.