Phytyl acetate
TL;DR: Phytyl acetate (CAS 5016-85-3) is a chemical compound with molecular formula C22H42O2 and molecular weight 338.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
Also Known As: Phytyl acetate, Phytol acetate, Z-Phytyl acetate, (E)-Phytyl acetate, Phytyl acetate, (E)-
| Molecular Formula | C22H42O2 |
|---|---|
| Molecular Weight | 338.32 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 338.31848 |
| Heavy Atoms | 24 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 5016-85-3 |
|---|---|
| SMILES | C[C@@H](CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C)CCCC(C)C |
| InChIKey | JIGCTXHIECXYRJ-ILWBRPEASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phytyl acetate (CAS 5016-85-3), with molecular formula C22H42O2 and molecular weight 338.32 g/mol. IUPAC: [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate.
Chemical Property Profile of Phytyl acetate
Property Insights of Phytyl acetate
The XLogP value of 8.8 indicates that Phytyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phytyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phytyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phytyl acetate?
The CAS number of Phytyl acetate is 5016-85-3.
What is the molecular formula of Phytyl acetate?
The molecular formula of Phytyl acetate is C22H42O2.
What is the molecular weight of Phytyl acetate?
The molecular weight of Phytyl acetate is 338.32 g/mol.
Where can I buy Phytyl acetate?
You can request a quote for Phytyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Phytyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.