1-(1,2-dimethyl-1H-indol-3-yl)ethanone
TL;DR: 1-(1,2-dimethyl-1H-indol-3-yl)ethanone (CAS 33204-39-6) 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-(1,2-dimethylindol-3-yl)ethanone
Also Known As: 1-(1,2-dimethyl-1H-indol-3-yl)ethanone, 8-Ethylguanine, 3-acetyl-1,2-dimethylindole, 1-(1,2-dimethylindol-3-yl)ethanone, INDOLE12DIMETHYL3acetyl
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.0 |
| 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 | 33204-39-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C(=O)C |
| InChIKey | RTIDNJAWGADXJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,2-dimethyl-1H-indol-3-yl)ethanone (CAS 33204-39-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-(1,2-dimethylindol-3-yl)ethanone.
Chemical Property Profile of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone
Property Insights of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,2-dimethyl-1H-indol-3-yl)ethanone. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(1,2-dimethyl-1H-indol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,2-dimethyl-1H-indol-3-yl)ethanone 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 1-(1,2-dimethyl-1H-indol-3-yl)ethanone?
The CAS number of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone is 33204-39-6.
What is the molecular formula of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone?
The molecular formula of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone is C12H13NO.
What is the molecular weight of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone?
The molecular weight of 1-(1,2-dimethyl-1H-indol-3-yl)ethanone is 187.10 g/mol.
Where can I buy 1-(1,2-dimethyl-1H-indol-3-yl)ethanone?
You can request a quote for 1-(1,2-dimethyl-1H-indol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2-dimethyl-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2-dimethyl-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.