Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-
TL;DR: Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- (CAS 71253-69-5) is a chemical compound with molecular formula C17H20N6S2 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine
Also Known As: Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, Guanidine, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-N'-(1,1-dimethylethyl)-N''-(2-methyl-4-quinolinyl)-, 1-(tert-Butyl)-2-(2-methylquinolin-4-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)guanidine, 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine, N-tert-Butyl-N'-(2-methylquinolin-4(1H)-ylidene)-N''-(5-sulfanyl-1,3,4-thiadiazol-2-yl)guanidine
| Molecular Formula | C17H20N6S2 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.73581 |
| Topological Polar Surface Area | 77.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.11908 |
| Heavy Atoms | 25 |
| Complexity | 980.45703 |
Chemical Identifiers
| CAS Number | 71253-69-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NNC(=S)S3 |
Product Overview
Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- (CAS 71253-69-5), with molecular formula C17H20N6S2 and molecular weight 372.12 g/mol. IUPAC: 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-
Property Insights of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-
The XLogP value of 4.73581 indicates that Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- has 3 hydrogen bond donor(s) and 5 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 Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-?
The CAS number of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- is 71253-69-5.
What is the molecular formula of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-?
The molecular formula of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- is C17H20N6S2.
What is the molecular weight of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-?
The molecular weight of Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- is 372.12 g/mol.
Where can I buy Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-?
You can request a quote for Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.