4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid
TL;DR: 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid (CAS 69002-94-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylsulfanyl)butanoic acid
Also Known As: 6-nitroquinoxaline, 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid, 4-(1H-1,3-benzodiazol-2-ylsulfanyl)butanoic acid, 4-(1H-benzimidazol-2-ylsulfanyl)butanoic acid, IDI1_007748
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.5198 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 462.44516 |
Chemical Identifiers
| CAS Number | 69002-94-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)O |
Product Overview
4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid (CAS 69002-94-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylsulfanyl)butanoic acid.
Chemical Property Profile of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid
Property Insights of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid
The XLogP value of 2.5198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid. Following Lipinski's Rule of Five, 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric 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 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid?
The CAS number of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid is 69002-94-4.
What is the molecular formula of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid?
The molecular formula of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid is C11H12N2O2S.
What is the molecular weight of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid?
The molecular weight of 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid is 236.06 g/mol.
Where can I buy 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid?
You can request a quote for 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.