Nicotinamide, 4-(2-bromoethylthio)-
TL;DR: Nicotinamide, 4-(2-bromoethylthio)- (CAS 13096-19-0) is a chemical compound with molecular formula C8H9BrN2OS and molecular weight 259.9619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
Also Known As: 4-(2-Bromoethylthio)nicotinamide, Nicotinamide, 4-(2-bromoethylthio)-, 3-Pyridinecarboxamide, 4-(2-bromoethylthio)-, 4-((2-bromoethyl)thio)nicotinamide, 5-22-05-00112 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C8H9BrN2OS |
| Molecular Weight | 259.9619 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.9619 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | C1=CN=CC(=C1SCCBr)C(=O)N |
| InChIKey | UNFBHTHXLRSKOD-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinamide, 4-(2-bromoethylthio)-
Property Insights of Nicotinamide, 4-(2-bromoethylthio)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinamide, 4-(2-bromoethylthio)-. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinamide, 4-(2-bromoethylthio)-. Following Lipinski's Rule of Five, Nicotinamide, 4-(2-bromoethylthio)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nicotinamide, 4-(2-bromoethylthio)-?
The CAS number of Nicotinamide, 4-(2-bromoethylthio)- is 13096-19-0.
What is the molecular formula of Nicotinamide, 4-(2-bromoethylthio)-?
The molecular formula of Nicotinamide, 4-(2-bromoethylthio)- is C8H9BrN2OS.
What is the molecular weight of Nicotinamide, 4-(2-bromoethylthio)-?
The molecular weight of Nicotinamide, 4-(2-bromoethylthio)- is 259.9619 g/mol.
Where can I buy Nicotinamide, 4-(2-bromoethylthio)-?
You can request a quote for Nicotinamide, 4-(2-bromoethylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinamide, 4-(2-bromoethylthio)-?
Yes, CoreyChem provides custom synthesis services for Nicotinamide, 4-(2-bromoethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.