3,3'-Diethylthiacarbocyanine
TL;DR: 3,3'-Diethylthiacarbocyanine (CAS 18403-49-1) is a chemical compound with molecular formula C21H21N2S2+ and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
Also Known As: 3,3'-diethylthiacarbocyanine, Crysta-lyn 551024 cation, 3,3'-Diethylthiacarbocyanine iodide, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)propenyl)-, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propen-1-yl)-
| Molecular Formula | C21H21N2S2+ |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.11462 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 18403-49-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC |
| InChIKey | JGLWGLKNDHZFAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Diethylthiacarbocyanine (CAS 18403-49-1), with molecular formula C21H21N2S2+ and molecular weight 365.11 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole.
Chemical Property Profile of 3,3'-Diethylthiacarbocyanine
Property Insights of 3,3'-Diethylthiacarbocyanine
The XLogP value of 6.3 indicates that 3,3'-Diethylthiacarbocyanine 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 3,3'-Diethylthiacarbocyanine. Following Lipinski's Rule of Five, 3,3'-Diethylthiacarbocyanine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Diethylthiacarbocyanine?
The CAS number of 3,3'-Diethylthiacarbocyanine is 18403-49-1.
What is the molecular formula of 3,3'-Diethylthiacarbocyanine?
The molecular formula of 3,3'-Diethylthiacarbocyanine is C21H21N2S2+.
What is the molecular weight of 3,3'-Diethylthiacarbocyanine?
The molecular weight of 3,3'-Diethylthiacarbocyanine is 365.11 g/mol.
Where can I buy 3,3'-Diethylthiacarbocyanine?
You can request a quote for 3,3'-Diethylthiacarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diethylthiacarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethylthiacarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.