3,3'-DIETHYLTHIACARBOCYANINE BROMIDE
TL;DR: 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE (CAS 17389-14-9) is a chemical compound with molecular formula C21H21BrN2S2 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-DIETHYLTHIACARBOCYANINE BROMIDE
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole bromide
Also Known As: 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE, 3,3'-Diethyl-2,2'-thiacarbocyanine bromide, THIACARBOCYANINE BROMIDE, 3,3'-DIETHYL-, 3-Ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)benzothiazolium, Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propen-1-yl)-, bromide (1:1)
| Molecular Formula | C21H21BrN2S2 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03296 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 17389-14-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[Br-] |
| InChIKey | XMMSIZBVTLPHSO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-DIETHYLTHIACARBOCYANINE BROMIDE (CAS 17389-14-9), with molecular formula C21H21BrN2S2 and molecular weight 444.03 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole bromide.
Chemical Property Profile of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE
Property Insights of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE. Following Lipinski's Rule of Five, 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE?
The CAS number of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE is 17389-14-9.
What is the molecular formula of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE?
The molecular formula of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE is C21H21BrN2S2.
What is the molecular weight of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE?
The molecular weight of 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE is 444.03 g/mol.
Where can I buy 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE?
You can request a quote for 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE 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 BROMIDE?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-DIETHYLTHIACARBOCYANINE BROMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.