Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
TL;DR: Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester (CAS 91918-77-3) is a chemical compound with molecular formula C20H16N4O3S2 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate
Also Known As: Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl thiocyanate, [6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate, Phosphoric acid,1-(2-chlorophenyl)-2-cyano-1-propenyl diethyl ester, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl thiocyanate
| Molecular Formula | C20H16N4O3S2 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 4.72378 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.06638 |
| Heavy Atoms | 29 |
| Complexity | 1186.9127 |
Chemical Identifiers
| CAS Number | 91918-77-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4)SC#N |
Product Overview
Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester (CAS 91918-77-3), with molecular formula C20H16N4O3S2 and molecular weight 424.07 g/mol. IUPAC: [6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
Property Insights of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
The XLogP value of 4.72378 indicates that Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester has 0 hydrogen bond donor(s) and 8 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 Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester?
The CAS number of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester is 91918-77-3.
What is the molecular formula of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester?
The molecular formula of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester is C20H16N4O3S2.
What is the molecular weight of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester?
The molecular weight of Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester is 424.07 g/mol.
Where can I buy Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester?
You can request a quote for Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.