6-Acetoxy-5-hexadecanolide
TL;DR: 6-Acetoxy-5-hexadecanolide (CAS 81792-36-1) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-[(2R)-6-oxooxan-2-yl]undecyl] acetate
Also Known As: 6-Acetoxy-5-hexadecanolide, (5R,6S)-6-acetoxy-5-hexadecanolide, (6S)-Acetoxy-(5R)-hexadecanolide, - -6-Acetoxy-5-hexadecanolide, (5R,6S)-6-acetoy-5-hexadecanolide
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 81792-36-1 |
|---|---|
| SMILES | CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C |
| InChIKey | SPOXUSGCKOQPRB-DLBZAZTESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Acetoxy-5-hexadecanolide (CAS 81792-36-1), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: [(1S)-1-[(2R)-6-oxooxan-2-yl]undecyl] acetate.
Chemical Property Profile of 6-Acetoxy-5-hexadecanolide
Property Insights of 6-Acetoxy-5-hexadecanolide
The XLogP value of 5.6 indicates that 6-Acetoxy-5-hexadecanolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 6-Acetoxy-5-hexadecanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetoxy-5-hexadecanolide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Acetoxy-5-hexadecanolide?
The CAS number of 6-Acetoxy-5-hexadecanolide is 81792-36-1.
What is the molecular formula of 6-Acetoxy-5-hexadecanolide?
The molecular formula of 6-Acetoxy-5-hexadecanolide is C18H32O4.
What is the molecular weight of 6-Acetoxy-5-hexadecanolide?
The molecular weight of 6-Acetoxy-5-hexadecanolide is 312.23 g/mol.
Where can I buy 6-Acetoxy-5-hexadecanolide?
You can request a quote for 6-Acetoxy-5-hexadecanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetoxy-5-hexadecanolide?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetoxy-5-hexadecanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.