![Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt structure](/static/products/6823/68239-65-6.webp)
Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
TL;DR: Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt (CAS 68239-65-6) is a chemical compound with molecular formula C26H27Cl2N3O6S and molecular weight 579.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-3-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
Also Known As: Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
| Molecular Formula | C26H27Cl2N3O6S |
|---|---|
| Molecular Weight | 579.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 579.0998 |
| Heavy Atoms | 38 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 68239-65-6 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4O3)CC)CC(CS(=O)(=O)[O-])OC(=O)C)Cl)Cl |
| InChIKey | VUWMFLLNEXBFLA-UHFFFAOYSA-N |
Product Overview
Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt (CAS 68239-65-6), with molecular formula C26H27Cl2N3O6S and molecular weight 579.10 g/mol. IUPAC: 2-acetyloxy-3-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate.
Chemical Property Profile of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
Property Insights of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
The XLogP value of 5.3 indicates that Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt. Following Lipinski's Rule of Five, Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt?
The CAS number of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt is 68239-65-6.
What is the molecular formula of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt?
The molecular formula of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt is C26H27Cl2N3O6S.
What is the molecular weight of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt?
The molecular weight of Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt is 579.10 g/mol.
Where can I buy Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt?
You can request a quote for Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 2-[3-[1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.