Cacalone
TL;DR: Cacalone (CAS 26294-92-8) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one
Also Known As: Cacalone, (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one, (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one, (4R)-5,6,7,8-Tetrahydro-4alpha-hydroxy-3,4,5beta-trimethylnaphtho[2,3-b]furan-9(4H)-one, (4R,5S)-4-hydroxy-3,4,5-trimethyl-4H,5H,6H,7H,8H,9H-naphtho[2,3-b]furan-9-one
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 26294-92-8 |
|---|---|
| SMILES | C[C@H]1CCCC2=C1[C@@](C3=C(C2=O)OC=C3C)(C)O |
| InChIKey | VNNQNPHIASWXBS-VXJOIVPMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cacalone (CAS 26294-92-8), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one.
Chemical Property Profile of Cacalone
Property Insights of Cacalone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cacalone. With a topological polar surface area (TPSA) of 50.4 Ų, Cacalone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cacalone 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 Cacalone?
The CAS number of Cacalone is 26294-92-8.
What is the molecular formula of Cacalone?
The molecular formula of Cacalone is C15H18O3.
What is the molecular weight of Cacalone?
The molecular weight of Cacalone is 246.13 g/mol.
Where can I buy Cacalone?
You can request a quote for Cacalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cacalone?
Yes, KEHONG BIO provides custom synthesis services for Cacalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.