Celestolide
TL;DR: Celestolide (CAS 13171-00-1) is a chemical compound with molecular formula C17H24O and molecular weight 244.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
Also Known As: CELESTOLIDE, 4-Acetyl-6-tert-butyl-1,1-dimethylindan, Chrysolide, Esperone, Musk celestolide
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H24O |
| Molecular Weight | 244.18271 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.18271 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| Melting Point | 78.5 °C |
| Boiling Point | BP: 304.5 °C at 101.325 kPa |
| Density | 1.06 at 21 °C |
| Vapor Pressure | VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg) |
| Solubility | In water, 0.015 mg/L |
| SMILES | CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C |
| InChIKey | IKTHMQYJOWTSJO-UHFFFAOYSA-N |
Chemical Property Profile of Celestolide
Property Insights of Celestolide
The XLogP value of 5.0 indicates that Celestolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Celestolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Celestolide 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
What is the CAS number of Celestolide?
The CAS number of Celestolide is 13171-00-1.
What is the molecular formula of Celestolide?
The molecular formula of Celestolide is C17H24O.
What is the molecular weight of Celestolide?
The molecular weight of Celestolide is 244.18271 g/mol.
Where can I buy Celestolide?
You can request a quote for Celestolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Celestolide?
Yes, CoreyChem provides custom synthesis services for Celestolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.