6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)
TL;DR: 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) (CAS 77563-06-5) is a chemical compound with molecular formula C28H36N4O9S and molecular weight 604.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid
Also Known As: 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1), 6-Benzothiazolamine, 2-ethoxy-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate, hydrate (2:4:1), 2-ethoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-, 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid, 2-ethoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine,oxalic acid,hydrate
| Molecular Formula | C28H36N4O9S |
|---|---|
| Molecular Weight | 604.22 g/mol |
| LogP | 2.6669 |
| Topological Polar Surface Area | 189.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 604.2203 |
| Heavy Atoms | 42 |
| Complexity | 1263.2125 |
Chemical Identifiers
| CAS Number | 77563-06-5 |
|---|---|
| SMILES | CCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) (CAS 77563-06-5), with molecular formula C28H36N4O9S and molecular weight 604.22 g/mol. IUPAC: 2-ethoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid.
Chemical Property Profile of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)
Property Insights of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)
The XLogP value of 2.6669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1). The TPSA of 189.83 Ų indicates high polarity, suggesting 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)?
The CAS number of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) is 77563-06-5.
What is the molecular formula of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)?
The molecular formula of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) is C28H36N4O9S.
What is the molecular weight of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)?
The molecular weight of 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) is 604.22 g/mol.
Where can I buy 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)?
You can request a quote for 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.