2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione (CAS 312757-62-3) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00340587, 2-(1-acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione, AH-034/34962049, 2-(1-acetyl-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione, 1-acetyl-3-(4,4-dimethyl-2,6-dioxocyclohexyl)indole
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.3432 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 777.7652 |
Chemical Identifiers
| CAS Number | 312757-62-3 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C3C(=O)CC(CC3=O)(C)C |
Product Overview
2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione (CAS 312757-62-3), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 2-(1-acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 3.3432 indicates that 2-(1-Acetylindol-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 56.14 Ų, 2-(1-Acetylindol-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-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione has 0 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-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is 312757-62-3.
What is the molecular formula of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is C18H19NO3.
What is the molecular weight of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione is 297.14 g/mol.
Where can I buy 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(1-Acetylindol-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-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.