Ethyl-stains-all
TL;DR: Ethyl-stains-all (CAS 3028-94-2) is a chemical compound with molecular formula C31H29BrN2S2 and molecular weight 572.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole bromide
Also Known As: Ethyl-stains-all, triethyl-carbocyanin DBTC, (2E)-1-ethyl-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole;bromide, 1-Ethyl-2-(2-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)naphtho(1,2-d)thiazolium bromide, 1-Ethyl-2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium bromide
| Molecular Formula | C31H29BrN2S2 |
|---|---|
| Molecular Weight | 572.10 g/mol |
| LogP | 5.7861 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 572.0955 |
| Heavy Atoms | 36 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 3028-94-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CC.[Br-] |
| InChIKey | GTUGFHRXJPVYKM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-stains-all (CAS 3028-94-2), with molecular formula C31H29BrN2S2 and molecular weight 572.10 g/mol. IUPAC: 1-ethyl-2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole bromide.
Chemical Property Profile of Ethyl-stains-all
Property Insights of Ethyl-stains-all
The XLogP value of 5.7861 indicates that Ethyl-stains-all is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-stains-all. Following Lipinski's Rule of Five, Ethyl-stains-all has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl-stains-all?
The CAS number of Ethyl-stains-all is 3028-94-2.
What is the molecular formula of Ethyl-stains-all?
The molecular formula of Ethyl-stains-all is C31H29BrN2S2.
What is the molecular weight of Ethyl-stains-all?
The molecular weight of Ethyl-stains-all is 572.10 g/mol.
Where can I buy Ethyl-stains-all?
You can request a quote for Ethyl-stains-all directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-stains-all?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-stains-all and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.