T46X9F9KFW
TL;DR: T46X9F9KFW (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.
T46X9F9KFW
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
T46X9F9KFW (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 T46X9F9KFW
Property Insights of T46X9F9KFW
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T46X9F9KFW. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for T46X9F9KFW. Following Lipinski's Rule of Five, T46X9F9KFW 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 T46X9F9KFW?
The CAS number of T46X9F9KFW is 17389-14-9.
What is the molecular formula of T46X9F9KFW?
The molecular formula of T46X9F9KFW is C21H21BrN2S2.
What is the molecular weight of T46X9F9KFW?
The molecular weight of T46X9F9KFW is 444.03 g/mol.
Where can I buy T46X9F9KFW?
You can request a quote for T46X9F9KFW directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T46X9F9KFW?
Yes, KEHONG BIO provides custom synthesis services for T46X9F9KFW and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.