Guaiol
TL;DR: Guaiol (CAS 73003-40-4) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aR,5R)-3,8-dimethyl-2,3,3a,4,5,6-hexahydroazulen-5-yl]methanol
Also Known As: Guaiol, EINECS 277-198-2, 1,2,3,3a,4,5,6,7(Or 1,2,3,4,5,6,7,8)-octahydro-alpha,alpha,3,8-tetramethylazulene-5-methanol, 5-Azulenemethanol, 1,2,3,3a,4,5,6,7(or 1,2,3,4,5,6,7,8)-octahydro-alpha,alpha,3,8-tetramethyl-, [(3R,3aR,5R)-3,8-dimethyl-2,3,3a,4,5,6-hexahydroazulen-5-yl]methanol
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.9174 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 274.96014 |
Chemical Identifiers
| CAS Number | 73003-40-4 |
|---|---|
| SMILES | C[C@@H]1CC=C2[C@@H]1C[C@@H](CC=C2C)CO |
Product Overview
Guaiol (CAS 73003-40-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: [(3R,3aR,5R)-3,8-dimethyl-2,3,3a,4,5,6-hexahydroazulen-5-yl]methanol.
Chemical Property Profile of Guaiol
Property Insights of Guaiol
The XLogP value of 2.9174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiol. With a topological polar surface area (TPSA) of 20.23 Ų, Guaiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiol has 1 hydrogen bond donor(s) and 1 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 Guaiol?
The CAS number of Guaiol is 73003-40-4.
What is the molecular formula of Guaiol?
The molecular formula of Guaiol is C13H20O.
What is the molecular weight of Guaiol?
The molecular weight of Guaiol is 192.15 g/mol.
Where can I buy Guaiol?
You can request a quote for Guaiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiol?
Yes, KEHONG BIO provides custom synthesis services for Guaiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.