Cacalonol
TL;DR: Cacalonol (CAS 54707-45-8) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
Also Known As: Cacalonol, 4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one, 4-Hydroxy-3,4,5-trimethylnaphtho(2,3-b)furan-9(4H)-one, 4-Hydroxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one, 4-hydroxy-3,4,5-trimethylbenzo(f)(1)benzofuran-9-one
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.69664 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 662.3734 |
Chemical Identifiers
| CAS Number | 54707-45-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C2(C)O)C(=CO3)C |
Product Overview
Cacalonol (CAS 54707-45-8), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one.
Chemical Property Profile of Cacalonol
Property Insights of Cacalonol
The XLogP value of 2.69664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cacalonol. With a topological polar surface area (TPSA) of 50.44 Ų, Cacalonol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cacalonol has 1 hydrogen bond donor(s) and 3 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 Cacalonol?
The CAS number of Cacalonol is 54707-45-8.
What is the molecular formula of Cacalonol?
The molecular formula of Cacalonol is C15H14O3.
What is the molecular weight of Cacalonol?
The molecular weight of Cacalonol is 242.09 g/mol.
Where can I buy Cacalonol?
You can request a quote for Cacalonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cacalonol?
Yes, KEHONG BIO provides custom synthesis services for Cacalonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.