3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide
TL;DR: 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide (CAS 18359-88-1) is a chemical compound with molecular formula C29H25IN2S2 and molecular weight 592.05 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)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide
Also Known As: 3,3-DIETHYL-4,5,4',5'-DIBENZO-THIOCARBOCYANINE IODIDE, 1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
| Molecular Formula | C29H25IN2S2 |
|---|---|
| Molecular Weight | 592.05 g/mol |
| LogP | 5.01 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 592.0504 |
| Heavy Atoms | 34 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 18359-88-1 |
|---|---|
| SMILES | CCN1C(=CC=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)SC5=C1C6=CC=CC=C6C=C5.[I-] |
| InChIKey | FMJJHXXHXVIAON-UHFFFAOYSA-M |
Product Overview
3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide (CAS 18359-88-1), with molecular formula C29H25IN2S2 and molecular weight 592.05 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide.
Chemical Property Profile of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide
Property Insights of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide
The XLogP value of 5.01 indicates that 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide 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-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide. Following Lipinski's Rule of Five, 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide 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 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide?
The CAS number of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide is 18359-88-1.
What is the molecular formula of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide?
The molecular formula of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide is C29H25IN2S2.
What is the molecular weight of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide?
The molecular weight of 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide is 592.05 g/mol.
Where can I buy 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide?
You can request a quote for 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.