![4-[6-cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate structure](/static/products/3263/32634-36-9.webp)
4-[6-cyano-2-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate (CAS 32634-36-9) is a chemical compound with molecular formula C29H32N6O3S and molecular weight 544.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-cyano-2-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate, 1,3-DIETHYL-2-(3-(1-ETHYL-3-W-SULFOBUTYL-6-CYANO-1,3-BENZIMIDAZOLIN-2-YLIDEN)-PROP-1-EN--YL)-6-CYANO-1,3-BENZIMIDAZOLIUM-BETAINE, 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, 1,1'-DIETHYL-3-ETHYL-3'(SULFOBUTYL)-5,5'-DICYANO-BENZIMIDOTRIMETHINECYANINE-BETAINE, 5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINE BETAINE
| Molecular Formula | C29H32N6O3S |
|---|---|
| Molecular Weight | 544.23 g/mol |
| LogP | 4.23846 |
| Topological Polar Surface Area | 120.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.22565 |
| Heavy Atoms | 39 |
| Complexity | 1639.8235 |
Chemical Identifiers
| CAS Number | 32634-36-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C#N)N(C1=CC=CC3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC |
Product Overview
4-[6-cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate (CAS 32634-36-9), with molecular formula C29H32N6O3S and molecular weight 544.23 g/mol. IUPAC: 4-[6-cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate.
Chemical Property Profile of 4-[6-cyano-2-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
The XLogP value of 4.23846 indicates that 4-[6-cyano-2-[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 120.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[6-cyano-2-[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-[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
Frequently Asked Questions
What is the CAS number of 4-[6-cyano-2-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is 32634-36-9.
What is the molecular formula of 4-[6-cyano-2-[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-[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-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate is 544.23 g/mol.
Where can I buy 4-[6-cyano-2-[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-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[6-cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[6-cyano-2-[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.