Guaiyl acetate
TL;DR: Guaiyl acetate (CAS 17431-48-0) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate
Also Known As: Guaiol acetate, Guaiac acetate, Guaiyl acetate, Guaiol, acetate, Guaiac wood acetate
| Molecular Formula | C17H28O2 |
|---|---|
| Molecular Weight | 264.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.20892 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 17431-48-0 |
|---|---|
| SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C |
| InChIKey | DRFSOBZVMGLICQ-SGMGOOAPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiyl acetate (CAS 17431-48-0), with molecular formula C17H28O2 and molecular weight 264.21 g/mol. IUPAC: 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate.
Chemical Property Profile of Guaiyl acetate
Property Insights of Guaiyl acetate
The XLogP value of 3.6 indicates that Guaiyl 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, Guaiyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiyl 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 Guaiyl acetate?
The CAS number of Guaiyl acetate is 17431-48-0.
What is the molecular formula of Guaiyl acetate?
The molecular formula of Guaiyl acetate is C17H28O2.
What is the molecular weight of Guaiyl acetate?
The molecular weight of Guaiyl acetate is 264.21 g/mol.
Where can I buy Guaiyl acetate?
You can request a quote for Guaiyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Guaiyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.