2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
TL;DR: 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) (CAS 112403-24-4) is a chemical compound with molecular formula C25H28O4 and molecular weight 392.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: AE-848/12123110, 2,2'-(1-phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one), 2,2'-(3-phenylprop-2-yne-1,1-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-enone), 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-phenyl-2-propynyl]-5,5-dimethyl-2-cyclohexen-1-one
| Molecular Formula | C25H28O4 |
|---|---|
| Molecular Weight | 392.20 g/mol |
| LogP | 5.0567 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.19876 |
| Heavy Atoms | 29 |
| Complexity | 913.07086 |
Chemical Identifiers
| CAS Number | 112403-24-4 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C |
Product Overview
2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) (CAS 112403-24-4), with molecular formula C25H28O4 and molecular weight 392.20 g/mol. IUPAC: 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Property Insights of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
The XLogP value of 5.0567 indicates that 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one). Following Lipinski's Rule of Five, 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)?
The CAS number of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) is 112403-24-4.
What is the molecular formula of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)?
The molecular formula of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) is C25H28O4.
What is the molecular weight of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)?
The molecular weight of 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) is 392.20 g/mol.
Where can I buy 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)?
You can request a quote for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(1-Phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.