Dibenzocyanin 45
TL;DR: Dibenzocyanin 45 (CAS 20682-18-2) is a chemical compound with molecular formula C33H29IN2S2 and molecular weight 644.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole iodide
Also Known As: Dibenzocyanin 45, DDTTC, 3-cyclohexylpropionic acid methyl ester, 1-Ethyl-2-[(1E,3Z,5E,7Z)-7-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide, (2Z)-1-ethyl-2-[(2E,4Z,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole,iodide
| Molecular Formula | C33H29IN2S2 |
|---|---|
| Molecular Weight | 644.08 g/mol |
| LogP | 6.1183 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 644.08167 |
| Heavy Atoms | 38 |
| Complexity | 1742.9551 |
Chemical Identifiers
| CAS Number | 20682-18-2 |
|---|---|
| SMILES | CCN1/C(=C/C=C/C=C/C=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/SC5=C1C6=CC=CC=C6C=C5.[I-] |
Product Overview
Dibenzocyanin 45 (CAS 20682-18-2), with molecular formula C33H29IN2S2 and molecular weight 644.08 g/mol. IUPAC: (2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole iodide.
Chemical Property Profile of Dibenzocyanin 45
Property Insights of Dibenzocyanin 45
The XLogP value of 6.1183 indicates that Dibenzocyanin 45 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, Dibenzocyanin 45 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzocyanin 45 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 Dibenzocyanin 45?
The CAS number of Dibenzocyanin 45 is 20682-18-2.
What is the molecular formula of Dibenzocyanin 45?
The molecular formula of Dibenzocyanin 45 is C33H29IN2S2.
What is the molecular weight of Dibenzocyanin 45?
The molecular weight of Dibenzocyanin 45 is 644.08 g/mol.
Where can I buy Dibenzocyanin 45?
You can request a quote for Dibenzocyanin 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzocyanin 45?
Yes, KEHONG BIO provides custom synthesis services for Dibenzocyanin 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.