![3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid structure](/static/products/5067/50677-48-0.webp)
3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid
TL;DR: 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid (CAS 50677-48-0) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid
Also Known As: CBKinase1_000509, CBKinase1_012909, 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid, 3-((4,5-Diphenyl-1H-imidazol-2-yl)thio)propanoic acid, 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 4.3105 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 728.29596 |
Chemical Identifiers
| CAS Number | 50677-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=C(N2)SCCC(=O)O)C3=CC=CC=C3 |
Product Overview
3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid (CAS 50677-48-0), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid
Property Insights of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid
The XLogP value of 4.3105 indicates that 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic 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 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid. Following Lipinski's Rule of Five, 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic 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 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid?
The CAS number of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid is 50677-48-0.
What is the molecular formula of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid?
The molecular formula of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid is C18H16N2O2S.
What is the molecular weight of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid?
The molecular weight of 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid is 324.09 g/mol.
Where can I buy 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid?
You can request a quote for 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.