Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)
TL;DR: Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) (CAS 24954-59-4) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-indol-3-ylmethyl)-N-methylprop-2-yn-1-amine;oxalic acid
Also Known As: Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1), 3-(N-Methyl-N-(2-propynyl)aminomethyl)indole hydrogen oxalate, n-(1h-indol-3-ylmethyl)-n-methylprop-2-yn-1-amine ethanedioate(1:1), N-(1H-indol-3-ylmethyl)-N-methylprop-2-yn-1-amine; oxalic acid, Oxalic acid--N-[(1H-indol-3-yl)methyl]-N-methylprop-2-yn-1-amine (1/1)
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 1.3885 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 24954-59-4 |
|---|---|
| SMILES | CN(CC#C)CC1=CNC2=CC=CC=C21.C(=O)(C(=O)O)O |
| InChIKey | HQSXKLYVXVWRDA-UHFFFAOYSA-N |
Product Overview
Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) (CAS 24954-59-4), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: N-(1H-indol-3-ylmethyl)-N-methylprop-2-yn-1-amine;oxalic acid.
Chemical Property Profile of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)
Property Insights of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)
The XLogP value of 1.3885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1). The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1). Following Lipinski's Rule of Five, Indole, 3-((methyl-2-propynylamino)methyl)-, 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 Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)?
The CAS number of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) is 24954-59-4.
What is the molecular formula of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)?
The molecular formula of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) is C15H16N2O4.
What is the molecular weight of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)?
The molecular weight of Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) is 288.11 g/mol.
Where can I buy Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)?
You can request a quote for Indole, 3-((methyl-2-propynylamino)methyl)-, 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 Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.