Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
TL;DR: Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide (CAS 146794-72-1) is a chemical compound with molecular formula C15H20IN3OS and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-ol iodide
Also Known As: 1-Allyl-1-methyl-4-(6-hydroxybenzothioazol-2-yl)piperazinium iodide, 4-(6-Hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)piperazinium iodide, Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide, 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-ol iodide, RefChem:372765
| Molecular Formula | C15H20IN3OS |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | -0.5415 |
| Topological Polar Surface Area | 36.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.03717 |
| Heavy Atoms | 21 |
| Complexity | 634.8805 |
Chemical Identifiers
| CAS Number | 146794-72-1 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2=NC3=C(S2)C=C(C=C3)O)CC=C.[I-] |
Product Overview
Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide (CAS 146794-72-1), with molecular formula C15H20IN3OS and molecular weight 417.04 g/mol. IUPAC: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-ol iodide.
Chemical Property Profile of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
Property Insights of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
The XLogP value of -0.5415 indicates that Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.36 Ų, Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide?
The CAS number of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide is 146794-72-1.
What is the molecular formula of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide?
The molecular formula of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide is C15H20IN3OS.
What is the molecular weight of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide?
The molecular weight of Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide is 417.04 g/mol.
Where can I buy Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide?
You can request a quote for Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.