3,3'-Diethylthiatricarbocyanine iodide
TL;DR: 3,3'-Diethylthiatricarbocyanine iodide (CAS 1201170-50-4) is a chemical compound with molecular formula C25H25IN2S2 and molecular weight 544.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
Also Known As: DTTC iodide, DTTCI, 3,3'-Diethylthiatricarbocyanine iodide, DiSC2(7), EINECS 221-342-9
| Molecular Formula | C25H25IN2S2 |
|---|---|
| Molecular Weight | 544.05 g/mol |
| LogP | 3.8119 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.0504 |
| Heavy Atoms | 30 |
| Complexity | 1125.134 |
Chemical Identifiers
| CAS Number | 1201170-50-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] |
Product Overview
3,3'-Diethylthiatricarbocyanine iodide (CAS 1201170-50-4), with molecular formula C25H25IN2S2 and molecular weight 544.05 g/mol. IUPAC: (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 3,3'-Diethylthiatricarbocyanine iodide
Property Insights of 3,3'-Diethylthiatricarbocyanine iodide
The XLogP value of 3.8119 indicates that 3,3'-Diethylthiatricarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, 3,3'-Diethylthiatricarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethylthiatricarbocyanine iodide 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'-Diethylthiatricarbocyanine iodide?
The CAS number of 3,3'-Diethylthiatricarbocyanine iodide is 1201170-50-4.
What is the molecular formula of 3,3'-Diethylthiatricarbocyanine iodide?
The molecular formula of 3,3'-Diethylthiatricarbocyanine iodide is C25H25IN2S2.
What is the molecular weight of 3,3'-Diethylthiatricarbocyanine iodide?
The molecular weight of 3,3'-Diethylthiatricarbocyanine iodide is 544.05 g/mol.
Where can I buy 3,3'-Diethylthiatricarbocyanine iodide?
You can request a quote for 3,3'-Diethylthiatricarbocyanine 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'-Diethylthiatricarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethylthiatricarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.