Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride
TL;DR: Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride (CAS 18690-44-3) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-5-methoxyindol-3-yl)ethylazanium chloride
Also Known As: CT 3851, Benzyl-1 methoxy-5 tryptamine chlorhydrate, 3-(2-Aminoethyl)-1-benzyl-5-methoxyindole hydrochloride, Benzyl-1 methoxy-5 tryptamine chlorhydrate [French], INDOLE, 3-(2-AMINOETHYL)-1-BENZYL-5-METHOXY-, HYDROCHLORIDE
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 18690-44-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C=C2CC[NH3+])CC3=CC=CC=C3.[Cl-] |
| InChIKey | FQJLQHWWHJFPLJ-UHFFFAOYSA-N |
Product Overview
Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride (CAS 18690-44-3), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: 2-(1-benzyl-5-methoxyindol-3-yl)ethylazanium chloride.
Chemical Property Profile of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride
Property Insights of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride
The XLogP value of -0.51 indicates that Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.8 Ų, Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride 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, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride?
The CAS number of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride is 18690-44-3.
What is the molecular formula of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride?
The molecular formula of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride is C18H21ClN2O.
What is the molecular weight of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride?
The molecular weight of Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride is 316.13 g/mol.
Where can I buy Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride?
You can request a quote for Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(2-aminoethyl)-1-benzyl-5-methoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.