![(2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole structure](/static/products/5281/52812-09-6.webp)
(2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole
TL;DR: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole (CAS 52812-09-6) is a chemical compound with molecular formula C21H19Cl2N2S2+ and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole
Also Known As: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole, 5-Chloro-2-(2-((5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-3-methylbenzo[d]thiazol-3-ium, 5-chloro-2-[2-[(5-chloro-3-methyl-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-methyl-benzothiazole, 5-chloro-2-{(1E)-2-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-enyl}-3-methyl-1,3-benzothiazol-3-ium
| Molecular Formula | C21H19Cl2N2S2+ |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 6.9095 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.03668 |
| Heavy Atoms | 27 |
| Complexity | 1098.9999 |
Chemical Identifiers
| CAS Number | 52812-09-6 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)C)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)C |
Product Overview
(2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole (CAS 52812-09-6), with molecular formula C21H19Cl2N2S2+ and molecular weight 433.04 g/mol. IUPAC: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole.
Chemical Property Profile of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole
Property Insights of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole
The XLogP value of 6.9095 indicates that (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-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)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-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)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole?
The CAS number of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole is 52812-09-6.
What is the molecular formula of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole?
The molecular formula of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole is C21H19Cl2N2S2+.
What is the molecular weight of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole?
The molecular weight of (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole is 433.04 g/mol.
Where can I buy (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole?
You can request a quote for (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-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)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.