α-侧柏素
TL;DR: α-侧柏素 (CAS 1946-74-3) 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.
α-侧柏素
2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: alpha-Thujaplicin, a-thujaplicine, hinokitiol, thujaplicin, beta-Isopropyltropolone
| 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 |
Chemical Identifiers
| CAS Number | 1946-74-3 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C=CC=C1)O |
| InChIKey | TUFYVOCKVJOUIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-侧柏素 (CAS 1946-74-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of α-侧柏素
Property Insights of α-侧柏素
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-侧柏素. With a topological polar surface area (TPSA) of 37.3 Ų, α-侧柏素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-侧柏素 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 α-侧柏素?
The CAS number of α-侧柏素 is 1946-74-3.
What is the molecular formula of α-侧柏素?
The molecular formula of α-侧柏素 is C10H12O2.
What is the molecular weight of α-侧柏素?
The molecular weight of α-侧柏素 is 164.08 g/mol.
Where can I buy α-侧柏素?
You can request a quote for α-侧柏素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-侧柏素?
Yes, KEHONG BIO provides custom synthesis services for α-侧柏素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.