![2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium structure](/static/products/1624/162411-20-3.webp)
2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium
TL;DR: 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium (CAS 162411-20-3) is a chemical compound with molecular formula C38H48ClN2O6S2+ and molecular weight 727.2642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonic acid
Also Known As: 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium, 2-[2-(2-chloro-3-{2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium, 4-[2-[2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonic acid
Technical Specifications
| Molecular Formula | C38H48ClN2O6S2+ |
| Molecular Weight | 727.2642 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 727.2642 Da |
| Heavy Atoms | 49 |
| Complexity | 1480.0 |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)O)(C)C)CCC3)Cl)CCCCS(=O)(=O)O)C |
| InChIKey | HDEMJFRQENFOCB-UHFFFAOYSA-O |
Chemical Property Profile of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium
Property Insights of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium
The XLogP value of 6.6 indicates that 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium. Following Lipinski's Rule of Five, 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium?
The CAS number of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium is 162411-20-3.
What is the molecular formula of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium?
The molecular formula of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium is C38H48ClN2O6S2+.
What is the molecular weight of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium?
The molecular weight of 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium is 727.2642 g/mol.
Where can I buy 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium?
You can request a quote for 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium?
Yes, CoreyChem provides custom synthesis services for 2-[(1E)-2-[(3E)-2-chloro-3-{2-[(2E)-3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.