![methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate structure](/static/products/476/476209-97-9.png)
methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
TL;DR: methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate (CAS 476209-97-9) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-cyano-4-(2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(2,5-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, methyl 2-[[5-cyano-4-(2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, METHYL 2-{[3-CYANO-4-(2,5-DIMETHOXYPHENYL)-6-OXO-1,4,5,6-TETRAHYDROPYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 1.94868 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 753.8954 |
Chemical Identifiers
| CAS Number | 476209-97-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2CC(=O)NC(=C2C#N)SCC(=O)OC |
Product Overview
methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate (CAS 476209-97-9), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: methyl 2-[[5-cyano-4-(2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Property Insights of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
The XLogP value of 1.94868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 7 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 {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate?
The CAS number of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate is 476209-97-9.
What is the molecular formula of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate?
The molecular formula of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate is C17H18N2O5S.
What is the molecular weight of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate?
The molecular weight of methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate is 362.09 g/mol.
Where can I buy methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate?
You can request a quote for methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {[3-cyano-4-(2,5-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.