Calacone
TL;DR: Calacone (CAS 5957-62-0) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one
Also Known As: Calacone, 3-(3-Methyl-3-butenyl)-p-menth-3-en-2-one, 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one, 6-methyl-2-(3-methylbut-3-en-1-yl)-3-(propan-2-yl)cyclohex-2-en-1-one, RefChem:122683
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 4.2943 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 320.32666 |
Chemical Identifiers
| CAS Number | 5957-62-0 |
|---|---|
| SMILES | CC1CCC(=C(C1=O)CCC(=C)C)C(C)C |
Product Overview
Calacone (CAS 5957-62-0), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of Calacone
Property Insights of Calacone
The XLogP value of 4.2943 indicates that Calacone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Calacone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calacone 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 Calacone?
The CAS number of Calacone is 5957-62-0.
What is the molecular formula of Calacone?
The molecular formula of Calacone is C15H24O.
What is the molecular weight of Calacone?
The molecular weight of Calacone is 220.18 g/mol.
Where can I buy Calacone?
You can request a quote for Calacone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calacone?
Yes, KEHONG BIO provides custom synthesis services for Calacone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.