3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
TL;DR: 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid (CAS 126633-02-1) is a chemical compound with molecular formula C10H9BrN2O2S and molecular weight 299.95682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Also Known As: 5-(3-Nitrophenyl)isoxazole, 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid, 3-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid, 3-((6-Bromo-1H-benzo[d]imidazol-2-yl)thio)propanoic acid, BAS 00547001
Technical Specifications
| Molecular Formula | C10H9BrN2O2S |
| Molecular Weight | 299.95682 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.95682 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | C1=CC2=C(C=C1Br)NC(=N2)SCCC(=O)O |
| InChIKey | HOZIZHLTEQHZBJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
Property Insights of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid. Following Lipinski's Rule of Five, 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid has 2 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 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The CAS number of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is 126633-02-1.
What is the molecular formula of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The molecular formula of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is C10H9BrN2O2S.
What is the molecular weight of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
The molecular weight of 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid is 299.95682 g/mol.
Where can I buy 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
You can request a quote for 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.