2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide
TL;DR: 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide (CAS 517869-23-7) is a chemical compound with molecular formula C26H25N3OS2 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzhydrylpiperazin-1-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
Also Known As: 2-(4-benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide, AO-022/42151499, 1-(4-benzhydrylpiperazin-1-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone, 1-(4-benzhydrylpiperazin-1-yl)-2-benzothiazol-2-ylsulfanyl-ethanone, 1-(4-benzhydrylpiperazin-1-yl)-2-(benzo[d]thiazol-2-ylthio)ethanone
| Molecular Formula | C26H25N3OS2 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 5.3222 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1439 |
| Heavy Atoms | 32 |
| Complexity | 1098.8986 |
Chemical Identifiers
| CAS Number | 517869-23-7 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide (CAS 517869-23-7), with molecular formula C26H25N3OS2 and molecular weight 459.14 g/mol. IUPAC: 1-(4-benzhydrylpiperazin-1-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone.
Chemical Property Profile of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide
Property Insights of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide
The XLogP value of 5.3222 indicates that 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide?
The CAS number of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide is 517869-23-7.
What is the molecular formula of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide?
The molecular formula of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide is C26H25N3OS2.
What is the molecular weight of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide?
The molecular weight of 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide is 459.14 g/mol.
Where can I buy 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide?
You can request a quote for 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzhydryl-1-piperazinyl)-2-oxoethyl 1,3-benzothiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.