Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate
TL;DR: Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate (CAS 73728-44-6) is a chemical compound with molecular formula C20H31N3O5S and molecular weight 425.19846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[6-[(6-methoxy-1,3-benzothiazol-4-yl)amino]hexyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 4-((6-(Diethylamino)hexyl)amino)-6-methoxybenzothiazole oxalate, BENZOTHIAZOLE, 4-((6-(DIETHYLAMINO)HEXYL)AMINO)-6-METHOXY-, OXALATE, 1,6-Hexanediamine, N,N-diethyl-N'-(6-methoxy-4-benzothiazolyl)-, ethanedioate (1:1), diethyl-[6-[(6-methoxy-1,3-benzothiazol-4-yl)amino]hexyl]azanium; 2-hydroxy-2-oxoacetate, NSC 88375
Technical Specifications
| Molecular Formula | C20H31N3O5S |
| Molecular Weight | 425.19846 g/mol |
| XLogP | 1.02 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 425.19846 Da |
| Heavy Atoms | 29 |
| Complexity | 393.0 |
| SMILES | CC[NH+](CC)CCCCCCNC1=C2C(=CC(=C1)OC)SC=N2.C(=O)(C(=O)[O-])O |
| InChIKey | AHCDMQLWEBVOTN-UHFFFAOYSA-N |
Chemical Property Profile of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate
Property Insights of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate. The TPSA of 144.0 Ų indicates high polarity, suggesting Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate?
The CAS number of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate is 73728-44-6.
What is the molecular formula of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate?
The molecular formula of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate is C20H31N3O5S.
What is the molecular weight of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate?
The molecular weight of Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate is 425.19846 g/mol.
Where can I buy Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate?
You can request a quote for Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 4-((6-(diethylamino)hexyl)amino)-6-methoxy-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.