![(Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate structure](/static/products/488/488793-95-9.png)
(Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate
TL;DR: (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate (CAS 488793-95-9) is a chemical compound with molecular formula C30H31N3O2S2 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(4-benzhydrylpiperazin-1-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enoate
Also Known As: (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate, ethyl (Z)-3-(4-benzhydrylpiperazin-1-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enoate, Ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-benzothiazol-2-ylsulfanyl-but-2-enoate
| Molecular Formula | C30H31N3O2S2 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 6.2426 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.1858 |
| Heavy Atoms | 37 |
| Complexity | 1260.2273 |
Chemical Identifiers
| CAS Number | 488793-95-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(/CSC1=NC2=CC=CC=C2S1)\N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
(Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate (CAS 488793-95-9), with molecular formula C30H31N3O2S2 and molecular weight 529.19 g/mol. IUPAC: ethyl (Z)-3-(4-benzhydrylpiperazin-1-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enoate.
Chemical Property Profile of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate
Property Insights of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate
The XLogP value of 6.2426 indicates that (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate?
The CAS number of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate is 488793-95-9.
What is the molecular formula of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate?
The molecular formula of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate is C30H31N3O2S2.
What is the molecular weight of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate?
The molecular weight of (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate is 529.19 g/mol.
Where can I buy (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate?
You can request a quote for (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 3-(4-benzhydrylpiperazin-1-yl)-4-(benzo[d]thiazol-2-ylthio)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.