2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
TL;DR: 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone (CAS 537010-97-2) is a chemical compound with molecular formula C22H22N2O2 and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: IFLab1_004957, J3.261.691G, F1217-0050, AF-399/41378434, 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
| Molecular Formula | C22H22N2O2 |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 4.896 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.16812 |
| Heavy Atoms | 26 |
| Complexity | 999.1689 |
Chemical Identifiers
| CAS Number | 537010-97-2 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC=CC=N2)C3=CNC4=CC=CC=C43)O)C |
Product Overview
2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone (CAS 537010-97-2), with molecular formula C22H22N2O2 and molecular weight 346.17 g/mol. IUPAC: 3-hydroxy-2-[1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Property Insights of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
The XLogP value of 4.896 indicates that 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone. Following Lipinski's Rule of Five, 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone has 2 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 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The CAS number of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is 537010-97-2.
What is the molecular formula of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The molecular formula of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is C22H22N2O2.
What is the molecular weight of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
The molecular weight of 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone is 346.17 g/mol.
Where can I buy 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
You can request a quote for 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1H-indol-3-yl)(pyridin-2-yl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.