Hinokitiol
TL;DR: Hinokitiol (CAS 499-44-5) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: hinokitiol, beta-Thujaplicin, 4-Isopropyltropolone, Hinokitol, beta-Thujaplicine
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 280.0 |
| Melting Point | 52 - 52.5 °C |
| Boiling Point | 140.00 °C. @ 10.00 mm Hg |
| Solubility | 1.2 mg/mL at 25 °C |
| SMILES | CC(C)C1=CC(=O)C(=CC=C1)O |
| InChIKey | FUWUEFKEXZQKKA-UHFFFAOYSA-N |
Product Description
Applications: Hinokitiol is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Hinokitiol (CAS 499-44-5) has the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Reported properties include a solubility: 1.2 mg/mL at 25 °C. Synonyms include hinokitiol and beta-Thujaplicin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hinokitiol
Property Insights of Hinokitiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hinokitiol. With a topological polar surface area (TPSA) of 37.3 Ų, Hinokitiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hinokitiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hinokitiol?
The CAS number of Hinokitiol is 499-44-5.
What is the molecular formula of Hinokitiol?
The molecular formula of Hinokitiol is C10H12O2.
What is the molecular weight of Hinokitiol?
The molecular weight of Hinokitiol is 164.08372 g/mol.
What are the applications of Hinokitiol?
Hinokitiol is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Hinokitiol?
You can request a quote for Hinokitiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hinokitiol?
Yes, CoreyChem provides custom synthesis services for Hinokitiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.