5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate
TL;DR: 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate (CAS 83969-12-4) is a chemical compound with molecular formula C18H30N6O4S2 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine;methyl sulfate
Also Known As: 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate, 4-<<-tert-butyldimethylsiloxy)phenyl>ethynyl>benzene, 1,3,4-Thiadiazolium, 5-[bis(1-methylethyl)amino]-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-, methyl sulfate, 1,3,4-Thiadiazolium, 5-(bis(1-methylethyl)amino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-, methyl sulfate, 1,3,4-Thiadiazolium, 5-(bis(1-methylethyl)amino)-2-(2-(4-(dimethylamino)phenyl)diazenyl)-3-methyl-, methyl sulfate (1:1)
| Molecular Formula | C18H30N6O4S2 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 3.1652 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.177 |
| Heavy Atoms | 30 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 83969-12-4 |
|---|---|
| SMILES | CC(C)N(C1=N[N+](=C(S1)N=NC2=CC=C(C=C2)N(C)C)C)C(C)C.COS(=O)(=O)[O-] |
| InChIKey | MLTFWXODZCFGQN-UHFFFAOYSA-M |
Product Overview
5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate (CAS 83969-12-4), with molecular formula C18H30N6O4S2 and molecular weight 458.18 g/mol. IUPAC: 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine;methyl sulfate.
Chemical Property Profile of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate
Property Insights of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate
The XLogP value of 3.1652 indicates that 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate has 0 hydrogen bond donor(s) and 10 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 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate?
The CAS number of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate is 83969-12-4.
What is the molecular formula of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate?
The molecular formula of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate is C18H30N6O4S2.
What is the molecular weight of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate?
The molecular weight of 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate is 458.18 g/mol.
Where can I buy 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate?
You can request a quote for 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Diisopropylamino)-2-((4-(dimethylamino)phenyl)azo)-3-methyl-1,3,4-thiadiazolium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.