Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride
TL;DR: Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride (CAS 4682-98-8) is a chemical compound with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone;hydrochloride
Also Known As: 5-Acetyl-3-(2-aminoethyl)indole hydrochloride, 3-(2-Aminoethyl)indol-5-yl methyl ketone hydrochloride, KETONE, 3-(2-AMINOETHYL)INDOL-5-YL METHYL, HYDROCHLORIDE, 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone hydrochloride, 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone,hydrochloride
| Molecular Formula | C12H15ClN2O |
|---|---|
| Molecular Weight | 238.09 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0873 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 4682-98-8 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)NC=C2CCN.Cl |
| InChIKey | NKRZJYIGPWYIBM-UHFFFAOYSA-N |
Product Overview
Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride (CAS 4682-98-8), with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol. IUPAC: 1-[3-(2-aminoethyl)-1H-indol-5-yl]ethanone;hydrochloride.
Chemical Property Profile of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride
Property Insights of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride. With a topological polar surface area (TPSA) of 58.9 Ų, Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride has 3 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 Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride?
The CAS number of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride is 4682-98-8.
What is the molecular formula of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride?
The molecular formula of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride is C12H15ClN2O.
What is the molecular weight of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride?
The molecular weight of Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride is 238.09 g/mol.
Where can I buy Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride?
You can request a quote for Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 3-(2-aminoethyl)indol-5-yl methyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.