3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride
TL;DR: 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride (CAS 141599-54-4) is a chemical compound with molecular formula C20H23ClN2O4S and molecular weight 422.10672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
Also Known As: 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride, ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride, Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-{[(pyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H23ClN2O4S |
| Molecular Weight | 422.10672 g/mol |
| XLogP | 4.4858 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.10672 Da |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=CC=N3.Cl |
| InChIKey | BJZNNIXAEWJHGK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride
Property Insights of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride
The XLogP value of 4.4858 indicates that 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride has 2 hydrogen bond donor(s) and 7 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, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride?
The CAS number of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride is 141599-54-4.
What is the molecular formula of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride?
The molecular formula of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride is C20H23ClN2O4S.
What is the molecular weight of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride?
The molecular weight of 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride is 422.10672 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride?
You can request a quote for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,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, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-((2-pyridinylthio)methyl)-,ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.