Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate
TL;DR: Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate (CAS 889301-92-2) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4,6-dimethyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate
Also Known As: AB01261116-02, methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate, methyl 4-(4,6-dimethyl-2-(pyridin-2-yl)-1H-indol-3-yl)butanoate, methyl 4-(4,6-dimethyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate, methyl 4-[4,6-dimethyl-2-(pyridin-2-yl)-1H-indol-3-yl]butanoate
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 4.34244 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 866.22626 |
Chemical Identifiers
| CAS Number | 889301-92-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)NC(=C2CCCC(=O)OC)C3=CC=CC=N3)C |
Product Overview
Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate (CAS 889301-92-2), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: methyl 4-(4,6-dimethyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate.
Chemical Property Profile of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate
Property Insights of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate
The XLogP value of 4.34244 indicates that Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate has 1 hydrogen bond donor(s) and 3 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 Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate?
The CAS number of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate is 889301-92-2.
What is the molecular formula of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate?
The molecular formula of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate is C20H22N2O2.
What is the molecular weight of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate?
The molecular weight of Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate is 322.17 g/mol.
Where can I buy Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate?
You can request a quote for Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4,6-dimethyl-2-(2-pyridyl)indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.