Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide
TL;DR: Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide (CAS 113694-81-8) is a chemical compound with molecular formula C10H13BrN2O3 and molecular weight 288.01096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyridin-1-ium-3-carbonylamino)butanoic acid bromide
Also Known As: N-Nicotinoyl-gamma-aminobutyric acid hydrobromide, Butyric acid, 4-nicotinamido-, monohydrobromide, 3-[(3-carboxypropyl)carbamoyl]pyridinium bromide, 4-((3-Pyridinylcarbonyl)amino)butanoic acid hydrobromide, BUTANOIC ACID, 4-((3-PYRIDINYLCARBONYL)AMINO)-, MONOHYDROBROMIDE
Technical Specifications
| Molecular Formula | C10H13BrN2O3 |
| Molecular Weight | 288.01096 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.01096 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | C1=CC(=C[NH+]=C1)C(=O)NCCCC(=O)O.[Br-] |
| InChIKey | PCZFLSUKNWGGEC-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide
Property Insights of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide
The XLogP value of -2.9 indicates that Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide. Following Lipinski's Rule of Five, Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide?
The CAS number of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide is 113694-81-8.
What is the molecular formula of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide?
The molecular formula of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide is C10H13BrN2O3.
What is the molecular weight of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide?
The molecular weight of Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide is 288.01096 g/mol.
Where can I buy Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide?
You can request a quote for Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.