侧柏酮
TL;DR: 侧柏酮 (CAS 1125-12-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
侧柏酮
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: 3-Thujanone, Tanacetone, THUJONE, Chrysanthone, alpha-Thujone
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 207.0 |
| Boiling Point | 200.00 to 201.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 1125-12-8 |
|---|---|
| SMILES | CC1C2CC2(CC1=O)C(C)C |
| InChIKey | USMNOWBWPHYOEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
侧柏酮 (CAS 1125-12-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
Chemical Property Profile of 侧柏酮
Property Insights of 侧柏酮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 侧柏酮. With a topological polar surface area (TPSA) of 17.1 Ų, 侧柏酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 侧柏酮 has 0 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 侧柏酮?
The CAS number of 侧柏酮 is 1125-12-8.
What is the molecular formula of 侧柏酮?
The molecular formula of 侧柏酮 is C10H16O.
What is the molecular weight of 侧柏酮?
The molecular weight of 侧柏酮 is 152.12 g/mol.
Where can I buy 侧柏酮?
You can request a quote for 侧柏酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 侧柏酮?
Yes, KEHONG BIO provides custom synthesis services for 侧柏酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.