扁柏酚
TL;DR: 扁柏酚 (CAS 499-44-5) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
扁柏酚
2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: hinokitiol, beta-Thujaplicin, 4-Isopropyltropolone, Hinokitol, beta-Thujaplicine
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 |
| 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 |
Chemical Identifiers
| CAS Number | 499-44-5 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=CC=C1)O |
| InChIKey | FUWUEFKEXZQKKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扁柏酚 (CAS 499-44-5), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 扁柏酚
Property Insights of 扁柏酚
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 扁柏酚. With a topological polar surface area (TPSA) of 37.3 Ų, 扁柏酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 檜木醇 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
Frequently Asked Questions
What is the CAS number of 檜木醇?
The CAS number of 檜木醇 is 499-44-5.
What is the molecular formula of 檜木醇?
The molecular formula of 檜木醇 is C10H12O2.
What is the molecular weight of 檜木醇?
The molecular weight of 檜木醇 is 164.08 g/mol.
Where can I buy 檜木醇?
You can request a quote for 檜木醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 檜木醇?
Yes, KEHONG BIO provides custom synthesis services for 檜木醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.