(Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate
TL;DR: (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate (CAS 847336-45-2) is a chemical compound with molecular formula C24H33N5O3S and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[3-(azepane-1-carbothioyldiazenyl)-2-hydroxyindol-1-yl]methyl]piperidine-4-carboxylate
Also Known As: (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate, ethyl 1-({(3Z)-3-[2-(azepan-1-ylcarbonothioyl)hydrazinylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}methyl)piperidine-4-carboxylate, ethyl 1-[[(3E)-3-(azepane-1-carbothioylhydrazinylidene)-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate, ethyl 1-[[3-(azepane-1-carbothioylhydrazinylidene)-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
| Molecular Formula | C24H33N5O3S |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 4.8241 |
| Topological Polar Surface Area | 82.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.2304 |
| Heavy Atoms | 33 |
| Complexity | 1004.9385 |
Chemical Identifiers
| CAS Number | 847336-45-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=S)N4CCCCCC4 |
Product Overview
(Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate (CAS 847336-45-2), with molecular formula C24H33N5O3S and molecular weight 471.23 g/mol. IUPAC: ethyl 1-[[3-(azepane-1-carbothioyldiazenyl)-2-hydroxyindol-1-yl]methyl]piperidine-4-carboxylate.
Chemical Property Profile of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate
Property Insights of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate
The XLogP value of 4.8241 indicates that (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate?
The CAS number of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate is 847336-45-2.
What is the molecular formula of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate?
The molecular formula of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate is C24H33N5O3S.
What is the molecular weight of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate?
The molecular weight of (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate is 471.23 g/mol.
Where can I buy (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate?
You can request a quote for (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 1-((3-(2-(azepane-1-carbonothioyl)hydrazono)-2-oxoindolin-1-yl)methyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.