![(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole structure](/static/products/5321/53213-86-8.webp)
(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
TL;DR: (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole (CAS 53213-86-8) is a chemical compound with molecular formula C27H33N2S2+ and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
Also Known As: (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole, 3-pentyl-2-((1E,3Z)-3-(3-pentylbenzo[d]thiazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide
| Molecular Formula | C27H33N2S2+ |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 8.0361 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.20853 |
| Heavy Atoms | 31 |
| Complexity | 1064.0386 |
Chemical Identifiers
| CAS Number | 53213-86-8 |
|---|---|
| SMILES | CCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCCC |
Product Overview
(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole (CAS 53213-86-8), with molecular formula C27H33N2S2+ and molecular weight 449.21 g/mol. IUPAC: (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole.
Chemical Property Profile of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
Property Insights of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
The XLogP value of 8.0361 indicates that (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole?
The CAS number of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole is 53213-86-8.
What is the molecular formula of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole?
The molecular formula of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole is C27H33N2S2+.
What is the molecular weight of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole?
The molecular weight of (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole is 449.21 g/mol.
Where can I buy (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole?
You can request a quote for (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.