![3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine structure](/static/products/2726/27268-50-4.webp)
3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine
TL;DR: 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine (CAS 27268-50-4) is a chemical compound with molecular formula C31H41Cl2N3O6S4 and molecular weight 749.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine
Also Known As: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-, 3-[5-Chloro-2-(2-{[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate--N,N-diethylethanamine (1/1), 3-[5-Chloro-2-(2-{[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}butylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate-N,N-diethylethanamine (1:1)
| Molecular Formula | C31H41Cl2N3O6S4 |
|---|---|
| Molecular Weight | 749.13 g/mol |
| LogP | 7.304 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 749.12555 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 27268-50-4 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)O.CCN(CC)CC |
| InChIKey | ONJDQJZWBDZPHG-UHFFFAOYSA-N |
Product Overview
3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine (CAS 27268-50-4), with molecular formula C31H41Cl2N3O6S4 and molecular weight 749.13 g/mol. IUPAC: 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine.
Chemical Property Profile of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine
Property Insights of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine
The XLogP value of 7.304 indicates that 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine?
The CAS number of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine is 27268-50-4.
What is the molecular formula of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine?
The molecular formula of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine is C31H41Cl2N3O6S4.
What is the molecular weight of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine?
The molecular weight of 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine is 749.13 g/mol.
Where can I buy 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine?
You can request a quote for 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.