RefChem:164685
TL;DR: RefChem:164685 (CAS 68758-65-6) is a chemical compound with molecular formula C34H32N2O3S2 and molecular weight 580.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate
Also Known As: Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Ethyl-2-(3-(1-ethyl-1,4-dihydro-4-quinolinylidene)-1-propenyl)naphtho(1,2-d)thiazolium 4-methylbenzenesulfonate, 3-Ethyl-2-(3-(1-ethyl-1,4-dihydroquinolin-4-ylidene)-1-propenyl)naphtho(1,2-d)thiazolium, 4-methylbenzenesulfonate, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C34H32N2O3S2 |
|---|---|
| Molecular Weight | 580.19 g/mol |
| LogP | 7.69 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 580.1854 |
| Heavy Atoms | 41 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 68758-65-6 |
|---|---|
| SMILES | CCN1C(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)SC4=C1C5=CC=CC=C5C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | CWULMQVIKZARHS-UHFFFAOYSA-M |
Product Overview
RefChem:164685 (CAS 68758-65-6), with molecular formula C34H32N2O3S2 and molecular weight 580.19 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:164685
Property Insights of RefChem:164685
The XLogP value of 7.69 indicates that RefChem:164685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164685. Following Lipinski's Rule of Five, RefChem:164685 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164685?
The CAS number of RefChem:164685 is 68758-65-6.
What is the molecular formula of RefChem:164685?
The molecular formula of RefChem:164685 is C34H32N2O3S2.
What is the molecular weight of RefChem:164685?
The molecular weight of RefChem:164685 is 580.19 g/mol.
Where can I buy RefChem:164685?
You can request a quote for RefChem:164685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164685?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.