TL;DR: Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate (CAS 361477-99-8) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate, ethyl 2-((6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl)thio)acetate, F0422-0104, ETHYL 2-{[6-AMINO-3,5-DICYANO-4-(4-METHOXYPHENYL)PYRIDIN-2-YL]SULFANYL}ACETATE, 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid ethyl ester
| Molecular Formula | C18H16N4O3S |
| Molecular Weight | 368.0943 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.0943 Da |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
| SMILES | CCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)OC)C#N |
| InChIKey | MGWXXGDGVOMGNW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate is 361477-99-8.
The molecular formula of Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate is C18H16N4O3S.
The molecular weight of Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate is 368.0943 g/mol.
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