3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride
TL;DR: 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride (CAS 141599-65-7) is a chemical compound with molecular formula C23H26ClN3O4S and molecular weight 475.13327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate;hydrochloride
Also Known As: 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride, 2-(3'-cyano-4',6'-dimethyl-pyridyl)thiomethyl-3-carbethoxy-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride, ethyl 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate hydrochloride, Ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C23H26ClN3O4S |
| Molecular Weight | 475.13327 g/mol |
| XLogP | 4.97432 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.13327 Da |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=C(C(=CC(=N3)C)C)C#N.Cl |
| InChIKey | SFPNFHSFVMEIKR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride
Property Insights of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride
The XLogP value of 4.97432 indicates that 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride?
The CAS number of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride is 141599-65-7.
What is the molecular formula of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride?
The molecular formula of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride is C23H26ClN3O4S.
What is the molecular weight of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride?
The molecular weight of 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride is 475.13327 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride?
You can request a quote for 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-Benzofurancarboxylic acid, 2-(((3-cyano-4,6-dimethyl-2-pyridinyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.