2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate
TL;DR: 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate (CAS 77563-16-7) is a chemical compound with molecular formula C33H44N4O10S and molecular weight 688.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid
Also Known As: 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate, propanamide,n-n-(1-methyl-2-(4-,ethanedioate, Propanamide,N- -N-(1-methyl-2-(4- -,ethanedioate, Propanamide, N-(2-butoxy-6-benzothiazolyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate (1:2), N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid
| Molecular Formula | C33H44N4O10S |
|---|---|
| Molecular Weight | 688.28 g/mol |
| LogP | 3.7782 |
| Topological Polar Surface Area | 198.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 688.27783 |
| Heavy Atoms | 48 |
| Complexity | 1444.0785 |
Chemical Identifiers
| CAS Number | 77563-16-7 |
|---|---|
| SMILES | CCCCOC1=NC2=C(S1)C=C(C=C2)N(C(C)CN3CCN(CC3)CCC4=CC=CC=C4)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate (CAS 77563-16-7), with molecular formula C33H44N4O10S and molecular weight 688.28 g/mol. IUPAC: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid.
Chemical Property Profile of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate
Property Insights of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate
The XLogP value of 3.7782 indicates that 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.11 Ų indicates high polarity, suggesting 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate has 4 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 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate?
The CAS number of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate is 77563-16-7.
What is the molecular formula of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate?
The molecular formula of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate is C33H44N4O10S.
What is the molecular weight of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate?
The molecular weight of 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate is 688.28 g/mol.
Where can I buy 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate?
You can request a quote for 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.