![2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid structure](/static/products/6880/688043-52-9.webp)
2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
TL;DR: 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid (CAS 688043-52-9) is a chemical compound with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
Also Known As: 2-(6-bromobenzimidazol-2-ylthio)butanoic acid, 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid, 2-((6-bromo-1H-benzo[d]imidazol-2-yl)thio)butanoic acid, 2-[(5-BROMO-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]BUTANOIC ACID, 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
| Molecular Formula | C11H11BrN2O2S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 3.2807 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.97247 |
| Heavy Atoms | 17 |
| Complexity | 555.395 |
Chemical Identifiers
| CAS Number | 688043-52-9 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)Br |
Product Overview
2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid (CAS 688043-52-9), with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol. IUPAC: 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid.
Chemical Property Profile of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
Property Insights of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
The XLogP value of 3.2807 indicates that 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid. Following Lipinski's Rule of Five, 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid has 2 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 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid?
The CAS number of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid is 688043-52-9.
What is the molecular formula of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid?
The molecular formula of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid is C11H11BrN2O2S.
What is the molecular weight of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid?
The molecular weight of 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid is 313.97 g/mol.
Where can I buy 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid?
You can request a quote for 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.