Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-
TL;DR: Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- (CAS 69045-19-8) is a chemical compound with molecular formula C18H15N3S and molecular weight 305.10 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]propanenitrile
Also Known As: 2-Cyanoethylthio-4,5-diphenylimidazole, Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-, 3-((4,5-Diphenyl-1H-imidazol-2-yl)thio)propanenitrile, 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanenitrile, 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]propanenitrile
| Molecular Formula | C18H15N3S |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 4.74948 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.09866 |
| Heavy Atoms | 22 |
| Complexity | 716.09686 |
Chemical Identifiers
| CAS Number | 69045-19-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=C(N2)SCCC#N)C3=CC=CC=C3 |
Product Overview
Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- (CAS 69045-19-8), with molecular formula C18H15N3S and molecular weight 305.10 g/mol. IUPAC: 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-
Property Insights of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-
The XLogP value of 4.74948 indicates that Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- has 1 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 Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-?
The CAS number of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- is 69045-19-8.
What is the molecular formula of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-?
The molecular formula of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- is C18H15N3S.
What is the molecular weight of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-?
The molecular weight of Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- is 305.10 g/mol.
Where can I buy Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-?
You can request a quote for Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((4,5-diphenyl-1H-imidazol-2-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.