2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione (CAS 98208-18-5) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione, BAS 01509796, AH-034/08822008, 1,3-Cyclohexanedione, 2-(1H-indol-3-yl)-5,5-dimethyl-, 2-(1H-Indol-3-yl)-5,5-dimethyl-cyclohexane-1,3-dione
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.2097 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 646.1937 |
Chemical Identifiers
| CAS Number | 98208-18-5 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C2=CNC3=CC=CC=C32)C |
Product Overview
2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione (CAS 98208-18-5), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 3.2097 indicates that 2-(1H-indol-3-yl)-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 49.93 Ų, 2-(1H-indol-3-yl)-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-yl)-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-yl)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is 98208-18-5.
What is the molecular formula of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is C16H17NO2.
What is the molecular weight of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is 255.13 g/mol.
Where can I buy 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(1H-indol-3-yl)-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-yl)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.