Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride
TL;DR: Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride (CAS 86135-92-4) is a chemical compound with molecular formula C35H47Cl2N3O6S and molecular weight 707.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[5-methoxy-2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone;dihydrochloride
Also Known As: Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride, 1-[2-[5-methoxy-2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone dihydrochloride, 1-{2-[5-Methoxy-2-(4-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethan-1-one--hydrogen chloride (1/2), RefChem:328176
| Molecular Formula | C35H47Cl2N3O6S |
|---|---|
| Molecular Weight | 707.26 g/mol |
| LogP | 6.7413 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 707.2563 |
| Heavy Atoms | 47 |
| Complexity | 1431.557 |
Chemical Identifiers
| CAS Number | 86135-92-4 |
|---|---|
| SMILES | CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OCCCCN4CCN(CC4)CCC5=CC(=C(C(=C5)OC)OC)OC.Cl.Cl |
Product Overview
Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride (CAS 86135-92-4), with molecular formula C35H47Cl2N3O6S and molecular weight 707.26 g/mol. IUPAC: 1-[2-[5-methoxy-2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone;dihydrochloride.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride
Property Insights of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride
The XLogP value of 6.7413 indicates that Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride?
The CAS number of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride is 86135-92-4.
What is the molecular formula of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride?
The molecular formula of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride is C35H47Cl2N3O6S.
What is the molecular weight of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride?
The molecular weight of Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride is 707.26 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride?
You can request a quote for Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-3-acetyl-2-(5-methoxy-2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)phenyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.