![4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate structure](/static/products/109/109025-88-9.webp)
4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
TL;DR: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate (CAS 109025-88-9) is a chemical compound with molecular formula C29H32N6O3S and molecular weight 544.22565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
Also Known As: 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
Technical Specifications
| Molecular Formula | C29H32N6O3S |
| Molecular Weight | 544.22565 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.22565 Da |
| Heavy Atoms | 39 |
| Complexity | 1100.0 |
| SMILES | CCN\1C2=C(C=C(C=C2)C#N)N(/C1=C\C=C\C3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC |
| InChIKey | YWYCGJBGMVFFMH-UHFFFAOYSA-N |
Chemical Property Profile of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
Property Insights of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
The XLogP value of 4.2 indicates that 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate. Following Lipinski's Rule of Five, 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate has 0 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 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
The CAS number of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is 109025-88-9.
What is the molecular formula of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
The molecular formula of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is C29H32N6O3S.
What is the molecular weight of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
The molecular weight of 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is 544.22565 g/mol.
Where can I buy 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
You can request a quote for 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for 4-[6-cyano-2-[(E,3Z)-3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.