alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester
TL;DR: alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester (CAS 1850-26-6) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3Z)-1-acetyl-3-ethylidenepiperidin-4-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetate
Also Known As: alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester, methyl 2-[(3Z)-1-acetyl-3-ethylidenepiperidin-4-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetate, Indole-2-acetic acid, .alpha.-(1-acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-, methyl ester, stereoisomer, Methyl [(3Z)-1-acetyl-3-ethylidenepiperidinyl][3-(methoxymethyl)-1H-indol-2-yl]acetate, Methyl [(3Z)-1-acetyl-3-ethylidenepiperidinyl][3-(methoxymethyl)-1H-indol-2-yl]acetate #
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.3856 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 899.07385 |
Chemical Identifiers
| CAS Number | 1850-26-6 |
|---|---|
| SMILES | C/C=C/1\CN(CCC1C(C2=C(C3=CC=CC=C3N2)COC)C(=O)OC)C(=O)C |
Product Overview
alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester (CAS 1850-26-6), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl 2-[(3Z)-1-acetyl-3-ethylidenepiperidin-4-yl]-2-[3-(methoxymethyl)-1H-indol-2-yl]acetate.
Chemical Property Profile of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester
Property Insights of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester
The XLogP value of 3.3856 indicates that alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester. Following Lipinski's Rule of Five, alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester has 1 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 alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester?
The CAS number of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester is 1850-26-6.
What is the molecular formula of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester?
The molecular formula of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester is C22H28N2O4.
What is the molecular weight of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester?
The molecular weight of alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester is 384.20 g/mol.
Where can I buy alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester?
You can request a quote for alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for alpha-(1-Acetyl-3-ethylidene-4-piperidyl)-3-(methoxymethyl)-1H-indole-2-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.