Benzene,4-ethenyl-1-isocyanato-2-methyl
TL;DR: Benzene,4-ethenyl-1-isocyanato-2-methyl (CAS 832151-18-5) is a chemical compound with molecular formula C17H12N4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: Benzene,4-ethenyl-1-isocyanato-2-methyl, 5-(2-Phenylquinolin-4-yl)-4H-[1,2,4]triazol-3-thiol, 5-(2-Phenylquinolin-4-yl)-1H-1,2,4-triazole-3(2H)-thione, 5-(2-phenylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-phenyl-4-quinolinyl)-
| Molecular Formula | C17H12N4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 4.34949 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.07828 |
| Heavy Atoms | 22 |
| Complexity | 1001.7857 |
Chemical Identifiers
| CAS Number | 832151-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NC(=S)NN4 |
Product Overview
Benzene,4-ethenyl-1-isocyanato-2-methyl (CAS 832151-18-5), with molecular formula C17H12N4S and molecular weight 304.08 g/mol. IUPAC: 5-(2-phenylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of Benzene,4-ethenyl-1-isocyanato-2-methyl
Property Insights of Benzene,4-ethenyl-1-isocyanato-2-methyl
The XLogP value of 4.34949 indicates that Benzene,4-ethenyl-1-isocyanato-2-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.36 Ų, Benzene,4-ethenyl-1-isocyanato-2-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,4-ethenyl-1-isocyanato-2-methyl 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 Benzene,4-ethenyl-1-isocyanato-2-methyl?
The CAS number of Benzene,4-ethenyl-1-isocyanato-2-methyl is 832151-18-5.
What is the molecular formula of Benzene,4-ethenyl-1-isocyanato-2-methyl?
The molecular formula of Benzene,4-ethenyl-1-isocyanato-2-methyl is C17H12N4S.
What is the molecular weight of Benzene,4-ethenyl-1-isocyanato-2-methyl?
The molecular weight of Benzene,4-ethenyl-1-isocyanato-2-methyl is 304.08 g/mol.
Where can I buy Benzene,4-ethenyl-1-isocyanato-2-methyl?
You can request a quote for Benzene,4-ethenyl-1-isocyanato-2-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,4-ethenyl-1-isocyanato-2-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene,4-ethenyl-1-isocyanato-2-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.