RefChem:164686
TL;DR: RefChem:164686 (CAS 60485-76-9) is a chemical compound with molecular formula C37H34N2O3S3 and molecular weight 650.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate
Also Known As: Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-methyl-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Ethyl-2-(3-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-methyl-1-propenyl)naphtho(1,2-d)thiazolium toluene-p-sulphonate, Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C37H34N2O3S3 |
|---|---|
| Molecular Weight | 650.17 g/mol |
| LogP | 9.29 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 650.17316 |
| Heavy Atoms | 45 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 60485-76-9 |
|---|---|
| SMILES | CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | NAHBMBYWGHBPJC-UHFFFAOYSA-M |
Product Overview
RefChem:164686 (CAS 60485-76-9), with molecular formula C37H34N2O3S3 and molecular weight 650.17 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:164686
Property Insights of RefChem:164686
The XLogP value of 9.29 indicates that RefChem:164686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164686. Following Lipinski's Rule of Five, RefChem:164686 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164686?
The CAS number of RefChem:164686 is 60485-76-9.
What is the molecular formula of RefChem:164686?
The molecular formula of RefChem:164686 is C37H34N2O3S3.
What is the molecular weight of RefChem:164686?
The molecular weight of RefChem:164686 is 650.17 g/mol.
Where can I buy RefChem:164686?
You can request a quote for RefChem:164686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.