Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
TL;DR: Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- (CAS 16244-26-1) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dimethylindol-2-yl)ethanone
Also Known As: 1,3-Dimethyl-2-acetylindole, 1-(1,3-dimethylindol-2-yl)ethanone, 2-Acetyl-1,3-dimethylindole, 2-Acetyl-1,3-dimethyl-1H-indole, Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 16244-26-1 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C)C(=O)C |
| InChIKey | KMVJHDBDTPGOGY-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- (CAS 16244-26-1), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-(1,3-dimethylindol-2-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
Property Insights of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-. With a topological polar surface area (TPSA) of 22.0 Ų, Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- has 0 hydrogen bond donor(s) and 1 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 Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-?
The CAS number of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- is 16244-26-1.
What is the molecular formula of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-?
The molecular formula of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- is C12H13NO.
What is the molecular weight of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-?
The molecular weight of Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- is 187.10 g/mol.
Where can I buy Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-?
You can request a quote for Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.