3-(2-(Diethylamino)ethyl)indole oxalate (1:1)
TL;DR: 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) (CAS 20671-78-7) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
Also Known As: N,N-Diethyltryptamineoxalate, Sid 745377, 3-(2-(Diethylamino)ethyl)indole oxalate (1:1), Indole, 3-(2-(diethylamino)ethyl)-, oxalate (1:1), Indole, 3-[2-(diethylamino)ethyl]-, oxalate (1:1)
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 2.2078 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 20671-78-7 |
|---|---|
| SMILES | CCN(CC)CCC1=CNC2=CC=CC=C21.C(=O)(C(=O)O)O |
| InChIKey | BEAQJJFFASUCHK-UHFFFAOYSA-N |
Product Overview
3-(2-(Diethylamino)ethyl)indole oxalate (1:1) (CAS 20671-78-7), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: N,N-diethyl-2-(1H-indol-3-yl)ethanamine;oxalic acid.
Chemical Property Profile of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)
Property Insights of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)
The XLogP value of 2.2078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Diethylamino)ethyl)indole oxalate (1:1). The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Diethylamino)ethyl)indole oxalate (1:1). Following Lipinski's Rule of Five, 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) has 3 hydrogen bond donor(s) and 5 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 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)?
The CAS number of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) is 20671-78-7.
What is the molecular formula of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)?
The molecular formula of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) is C16H22N2O4.
What is the molecular weight of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)?
The molecular weight of 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) is 306.16 g/mol.
Where can I buy 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)?
You can request a quote for 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Diethylamino)ethyl)indole oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Diethylamino)ethyl)indole oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.