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 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Nicotinamide, 4-(2-bromoethylthio)-
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)
| Molecular Formula | C8H9BrN2OS |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.9619 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 13096-19-0 |
|---|---|
| SMILES | C1=CN=CC(=C1SCCBr)C(=O)N |
| InChIKey | UNFBHTHXLRSKOD-UHFFFAOYSA-N |
Product Overview
Nicotinamide, 4-(2-bromoethylthio)- (CAS 13096-19-0), with molecular formula C8H9BrN2OS and molecular weight 259.96 g/mol. IUPAC: 4-(2-bromoethylsulfanyl)pyridine-3-carboxamide.
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, 4-(2-溴乙硫基)烟酰胺 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
Frequently Asked Questions
What is the CAS number of 4-(2-溴乙硫基)烟酰胺?
The CAS number of 4-(2-溴乙硫基)烟酰胺 is 13096-19-0.
What is the molecular formula of 4-(2-溴乙硫基)烟酰胺?
The molecular formula of 4-(2-溴乙硫基)烟酰胺 is C8H9BrN2OS.
What is the molecular weight of 4-(2-溴乙硫基)烟酰胺?
The molecular weight of 4-(2-溴乙硫基)烟酰胺 is 259.96 g/mol.
Where can I buy 4-(2-溴乙硫基)烟酰胺?
You can request a quote for 4-(2-溴乙硫基)烟酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-溴乙硫基)烟酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-溴乙硫基)烟酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.