1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)
TL;DR: 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) (CAS 37126-67-3) is a chemical compound with molecular formula C26H34N2O4 and molecular weight 438.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2,3-Dihydro-3-phenyl-N,N,3-triethyl-1H-indole-1-ethylamine fumarate, 1H-INDOLE-1-ETHYLAMINE, 2,3-DIHYDRO-3-PHENYL-N,N,3-TRIETHYL-, FUMARATE (1:1), diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1058184
| Molecular Formula | C26H34N2O4 |
|---|---|
| Molecular Weight | 438.25 g/mol |
| LogP | 1.5045 |
| Topological Polar Surface Area | 85.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.25186 |
| Heavy Atoms | 32 |
| Complexity | 893.05273 |
Chemical Identifiers
| CAS Number | 37126-67-3 |
|---|---|
| SMILES | CCC1(CN(C2=CC=CC=C21)CC[NH+](CC)CC)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) (CAS 37126-67-3), with molecular formula C26H34N2O4 and molecular weight 438.25 g/mol. IUPAC: diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)
Property Insights of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)
The XLogP value of 1.5045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1). The TPSA of 85.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1). Following Lipinski's Rule of Five, 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) has 2 hydrogen bond donor(s) and 4 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-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)?
The CAS number of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) is 37126-67-3.
What is the molecular formula of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)?
The molecular formula of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) is C26H34N2O4.
What is the molecular weight of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)?
The molecular weight of 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) is 438.25 g/mol.
Where can I buy 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)?
You can request a quote for 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-1-ethylamine, 2,3-dihydro-3-phenyl-N,N,3-triethyl-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.