2- -1-methyl-3- -1H-indole
TL;DR: 2- -1-methyl-3- -1H-indole (CAS 50527-50-9) is a chemical compound with molecular formula C21H31N3 and molecular weight 325.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[1-methyl-3-(2,6,6-trimethyl-2,3-dihydro-1H-pyridin-4-yl)indol-2-yl]propan-2-amine
Also Known As: 2- -1-methyl-3- -1H-indole, 3-(2,2,6-Trimethyl-3-piperiden-4-yl)-2(2-methyl-2-aminopropyl)-1-methylindole, 2-(2-Amino-2-methylpropyl)-1-methyl-3-(2,6,6-trimethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole, 3-(2,2,6-Trimethyl-3-piperiden-4-yl)-2-(2-methyl-2-aminopropyl)-1-methylindole, 3-(2,2,6-Trimethylpiperidin-3-en-4-yl)-2-(2-methyl-2-aminopropyl)-1-methylindole
| Molecular Formula | C21H31N3 |
|---|---|
| Molecular Weight | 325.25 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.2518 |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 50527-50-9 |
|---|---|
| SMILES | CC1CC(=CC(N1)(C)C)C2=C(N(C3=CC=CC=C32)C)CC(C)(C)N |
| InChIKey | KSWIBPTXLBGRNE-UHFFFAOYSA-N |
Product Overview
2- -1-methyl-3- -1H-indole (CAS 50527-50-9), with molecular formula C21H31N3 and molecular weight 325.25 g/mol. IUPAC: 2-methyl-1-[1-methyl-3-(2,6,6-trimethyl-2,3-dihydro-1H-pyridin-4-yl)indol-2-yl]propan-2-amine.
Chemical Property Profile of 2- -1-methyl-3- -1H-indole
Property Insights of 2- -1-methyl-3- -1H-indole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2- -1-methyl-3- -1H-indole. With a topological polar surface area (TPSA) of 43.0 Ų, 2- -1-methyl-3- -1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2- -1-methyl-3- -1H-indole 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 2- -1-methyl-3- -1H-indole?
The CAS number of 2- -1-methyl-3- -1H-indole is 50527-50-9.
What is the molecular formula of 2- -1-methyl-3- -1H-indole?
The molecular formula of 2- -1-methyl-3- -1H-indole is C21H31N3.
What is the molecular weight of 2- -1-methyl-3- -1H-indole?
The molecular weight of 2- -1-methyl-3- -1H-indole is 325.25 g/mol.
Where can I buy 2- -1-methyl-3- -1H-indole?
You can request a quote for 2- -1-methyl-3- -1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2- -1-methyl-3- -1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2- -1-methyl-3- -1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.