ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate (CAS 370576-67-3) is a chemical compound with molecular formula C27H28N4O6S and molecular weight 536.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl(2-pyridylthio))methyl]-4-(3,4,5 -trimethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C27H28N4O6S |
|---|---|
| Molecular Weight | 536.17 g/mol |
| LogP | 4.0131 |
| Topological Polar Surface Area | 149.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.173 |
| Heavy Atoms | 38 |
| Complexity | 1378.4937 |
Chemical Identifiers
| CAS Number | 370576-67-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N |
Product Overview
ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate (CAS 370576-67-3), with molecular formula C27H28N4O6S and molecular weight 536.17 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
The XLogP value of 4.0131 indicates that ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.71 Ų indicates high polarity, suggesting ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate is 370576-67-3.
What is the molecular formula of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate is C27H28N4O6S.
What is the molecular weight of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate is 536.17 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.