![ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate structure](/static/products/824/824418-35-1.png)
ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate
TL;DR: ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate (CAS 824418-35-1) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanylmethyl]benzoate
Also Known As: ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate, ethyl 4-(((3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl)thio)methyl)benzoate, Ethyl 4-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylmethyl]benzoate, ethyl 4-[[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylmethyl]benzoate
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.8771 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 782.4916 |
Chemical Identifiers
| CAS Number | 824418-35-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=C2C#N)COC)C |
Product Overview
ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate (CAS 824418-35-1), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: ethyl 4-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanylmethyl]benzoate.
Chemical Property Profile of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate
Property Insights of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate
The XLogP value of 3.8771 indicates that ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate has 0 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 ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate?
The CAS number of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate is 824418-35-1.
What is the molecular formula of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate?
The molecular formula of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate is C19H20N2O3S.
What is the molecular weight of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate?
The molecular weight of ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate is 356.12 g/mol.
Where can I buy ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate?
You can request a quote for ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.