2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 40302-35-0) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[(1H-indol-3-yl)methylidene]-5,5-dimethylcyclohexane-1,3-dione, 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione, 1,3-Cyclohexanedione,2-(1H-indol-3-ylmethylene)-5,5-dimethyl-, 2-((1H-indol-3-yl)methylene)-5,5-dimethylcyclohexane-1,3-dione, 4P-074
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 40302-35-0 |
|---|---|
| SMILES | CC1(CC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)C1)C |
| InChIKey | PVETXUPWVJBODN-UHFFFAOYSA-N |
Product Overview
2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 40302-35-0), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 3.3 indicates that 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione has 1 hydrogen bond donor(s) and 2 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-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione is 40302-35-0.
What is the molecular formula of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione is C17H17NO2.
What is the molecular weight of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione is 267.13 g/mol.
Where can I buy 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione 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-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.