Indole, 5-acetyl-3-((dimethylamino)methyl)-
TL;DR: Indole, 5-acetyl-3-((dimethylamino)methyl)- (CAS 54531-17-8) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(dimethylamino)methyl]-1H-indol-5-yl]ethanone
Also Known As: 5-Acetylgramine, 5-Acetyl-3-((dimethylamino)methyl)indole, INDOLE, 5-ACETYL-3-((DIMETHYLAMINO)METHYL)-, 5-22-13-00050 (Beilstein Handbook Reference), 1-[3-(dimethylaminomethyl)-1H-indol-5-yl]ethanone
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 54531-17-8 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)NC=C2CN(C)C |
| InChIKey | RGHWOYZPLAFYJX-UHFFFAOYSA-N |
Product Overview
Indole, 5-acetyl-3-((dimethylamino)methyl)- (CAS 54531-17-8), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 1-[3-[(dimethylamino)methyl]-1H-indol-5-yl]ethanone.
Chemical Property Profile of Indole, 5-acetyl-3-((dimethylamino)methyl)-
Property Insights of Indole, 5-acetyl-3-((dimethylamino)methyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 5-acetyl-3-((dimethylamino)methyl)-. With a topological polar surface area (TPSA) of 36.1 Ų, Indole, 5-acetyl-3-((dimethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 5-acetyl-3-((dimethylamino)methyl)- 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 Indole, 5-acetyl-3-((dimethylamino)methyl)-?
The CAS number of Indole, 5-acetyl-3-((dimethylamino)methyl)- is 54531-17-8.
What is the molecular formula of Indole, 5-acetyl-3-((dimethylamino)methyl)-?
The molecular formula of Indole, 5-acetyl-3-((dimethylamino)methyl)- is C13H16N2O.
What is the molecular weight of Indole, 5-acetyl-3-((dimethylamino)methyl)-?
The molecular weight of Indole, 5-acetyl-3-((dimethylamino)methyl)- is 216.13 g/mol.
Where can I buy Indole, 5-acetyl-3-((dimethylamino)methyl)-?
You can request a quote for Indole, 5-acetyl-3-((dimethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 5-acetyl-3-((dimethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 5-acetyl-3-((dimethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.