Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride
TL;DR: Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride (CAS 1396971-62-2) is a chemical compound with molecular formula C15H22ClN3O4S and molecular weight 375.10196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methylsulfanyl-2-[[2-(pyridine-3-carbonylamino)acetyl]amino]butanoate;hydrochloride
Also Known As: Ethyl 4-methylsulfanyl-2-[[2-(pyridine-3-carbonylamino)acetyl]amino]butanoate Hydrochloride, ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride
Technical Specifications
| Molecular Formula | C15H22ClN3O4S |
| Molecular Weight | 375.10196 g/mol |
| XLogP | 1.0342 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 375.10196 Da |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
| SMILES | CCOC(=O)C(CCSC)NC(=O)CNC(=O)C1=CN=CC=C1.Cl |
| InChIKey | CIMBXXROJACUAK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride
Property Insights of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride
The XLogP value of 1.0342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride. Following Lipinski's Rule of Five, Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride?
The CAS number of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride is 1396971-62-2.
What is the molecular formula of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride?
The molecular formula of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride is C15H22ClN3O4S.
What is the molecular weight of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride?
The molecular weight of Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride is 375.10196 g/mol.
Where can I buy Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride?
You can request a quote for Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(methylthio)-2-(2-(nicotinamido)acetamido)butanoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.