1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride
TL;DR: 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride (CAS 81603-64-7) is a chemical compound with molecular formula C12H16ClFN2 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-fluoro-1H-indol-3-yl)butan-2-ylazanium chloride
Also Known As: 3-(2-Aminobutyl)-6-fluoroindole hydrochloride, alpha-Ethyl-6-fluoro-1H-indole-3-ethanamine hydrochloride, 1-(6-fluoro-1H-indol-3-yl)butan-2-ylazanium chloride, 1H-INDOLE-3-ETHANAMINE, alpha-ETHYL-6-FLUORO-, HYDROCHLORIDE, RefChem:1058210
| Molecular Formula | C12H16ClFN2 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | -1.13 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0986 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 81603-64-7 |
|---|---|
| SMILES | CCC(CC1=CNC2=C1C=CC(=C2)F)[NH3+].[Cl-] |
| InChIKey | HGEQIYMDPOFWFU-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride (CAS 81603-64-7), with molecular formula C12H16ClFN2 and molecular weight 242.10 g/mol. IUPAC: 1-(6-fluoro-1H-indol-3-yl)butan-2-ylazanium chloride.
Chemical Property Profile of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride
Property Insights of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride
The XLogP value of -1.13 indicates that 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride has 2 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 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride?
The CAS number of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride is 81603-64-7.
What is the molecular formula of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride?
The molecular formula of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride is C12H16ClFN2.
What is the molecular weight of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride?
The molecular weight of 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride is 242.10 g/mol.
Where can I buy 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride?
You can request a quote for 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-ethanamine, alpha-ethyl-6-fluoro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.