RefChem:164561
TL;DR: RefChem:164561 (CAS 68123-38-6) is a chemical compound with molecular formula C38H53ClN4O9S2 and molecular weight 808.29425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-chloro-3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propyl-triethylazanium;ethyl sulfate
Also Known As: Naphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, ethyl sulfate (1:2), Naphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-, bis(ethyl sulfate), 2-(3-{5-Chloro-3-ethyl-1-[3-(triethylazaniumyl)propyl]-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethylnaphtho[2,1-d][1,3]oxazol-3-ium bis(ethyl sulfate), 3,3'-Diethyl-5'-chloro-1'-(gamma-triethylaminopropyl)-2,2'-(6,7-benzoxa)benzimidazolocarbocyanine, diethosulfate, Naphth(2,1-d)oxazolium, 2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-, ethyl sulfate (1:2)
Technical Specifications
| Molecular Formula | C38H53ClN4O9S2 |
| Molecular Weight | 808.29425 g/mol |
| XLogP | 6.98 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 808.29425 Da |
| Heavy Atoms | 54 |
| Complexity | 970.0 |
| SMILES | CCN1C2=C(C=CC(=C2)Cl)N(C1=CC=CC3=[N+](C4=C(O3)C5=CC=CC=C5C=C4)CC)CCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-] |
| InChIKey | IAYUBQQFGWAEOS-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:164561
Property Insights of RefChem:164561
The XLogP value of 6.98 indicates that RefChem:164561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:164561 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:164561 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:164561?
The CAS number of RefChem:164561 is 68123-38-6.
What is the molecular formula of RefChem:164561?
The molecular formula of RefChem:164561 is C38H53ClN4O9S2.
What is the molecular weight of RefChem:164561?
The molecular weight of RefChem:164561 is 808.29425 g/mol.
Where can I buy RefChem:164561?
You can request a quote for RefChem:164561 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:164561?
Yes, CoreyChem provides custom synthesis services for RefChem:164561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.