2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4
TL;DR: 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 (CAS 77563-14-5) is a chemical compound with molecular formula C32H42N4O10S and molecular weight 674.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide
Also Known As: 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4, Propanamide, N-(2-(1-methylethoxy)-6-benzothiazolyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate (1:2), Oxalic acid--N-{1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl}-N-{2-[(propan-2-yl)oxy]-1,3-benzothiazol-6-yl}propanamide (2/1), oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide, RefChem:374160
| Molecular Formula | C32H42N4O10S |
|---|---|
| Molecular Weight | 674.26 g/mol |
| LogP | 3.3865 |
| Topological Polar Surface Area | 198.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 674.26215 |
| Heavy Atoms | 47 |
| Complexity | 1441.531 |
Chemical Identifiers
| CAS Number | 77563-14-5 |
|---|---|
| SMILES | CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC(C)C)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 (CAS 77563-14-5), with molecular formula C32H42N4O10S and molecular weight 674.26 g/mol. IUPAC: oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide.
Chemical Property Profile of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4
Property Insights of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4
The XLogP value of 3.3865 indicates that 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.11 Ų indicates high polarity, suggesting 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 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-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4?
The CAS number of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 is 77563-14-5.
What is the molecular formula of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4?
The molecular formula of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 is C32H42N4O10S.
What is the molecular weight of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4?
The molecular weight of 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 is 674.26 g/mol.
Where can I buy 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4?
You can request a quote for 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamide)benzothiazole 2C2H2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.