![3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate structure](/static/products/2809/28094-54-4.webp)
3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
TL;DR: 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate (CAS 28094-54-4) is a chemical compound with molecular formula C20H21Cl2N3O3S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate, 1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-[2-(phenylamino)ethenyl]-3-(3-sulfopropyl)-, inner salt, 3-(5,6-dichloro-1-ethyl-2-(2-(phenylamino)vinyl)-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate
| Molecular Formula | C20H21Cl2N3O3S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 4.2736 |
| Topological Polar Surface Area | 78.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.06805 |
| Heavy Atoms | 29 |
| Complexity | 1142.9829 |
Chemical Identifiers
| CAS Number | 28094-54-4 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2[N+](=C1C=CNC3=CC=CC=C3)CCCS(=O)(=O)[O-])Cl)Cl |
Product Overview
3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate (CAS 28094-54-4), with molecular formula C20H21Cl2N3O3S and molecular weight 453.07 g/mol. IUPAC: 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
Property Insights of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
The XLogP value of 4.2736 indicates that 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate. Following Lipinski's Rule of Five, 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate?
The CAS number of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate is 28094-54-4.
What is the molecular formula of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate?
The molecular formula of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate is C20H21Cl2N3O3S.
What is the molecular weight of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate?
The molecular weight of 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate is 453.07 g/mol.
Where can I buy 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate?
You can request a quote for 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.