3,3'-Diethylthiatricarbocyanine
TL;DR: 3,3'-Diethylthiatricarbocyanine (CAS 32003-36-4) is a chemical compound with molecular formula C25H25N2S2+ and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole
Also Known As: 3,3'-Diethylthiatricarbocyanine, 5-Bromo-4-chloro-2-methoxy-benzoicacid, J1.579.605G, Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-,, 3-ETHYL-2-[(1E,3E,5E)-7-[(2E)-3-ETHYL-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-YLIDENE]HEPTA-1,3,5-TRIEN-1-YL]-1,3-BENZOTHIAZOL-3-IUM
| Molecular Formula | C25H25N2S2+ |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 6.8079 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1459 |
| Heavy Atoms | 29 |
| Complexity | 1118.8087 |
Chemical Identifiers
| CAS Number | 32003-36-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC |
Product Overview
3,3'-Diethylthiatricarbocyanine (CAS 32003-36-4), with molecular formula C25H25N2S2+ and molecular weight 417.15 g/mol. IUPAC: (2E)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole.
Chemical Property Profile of 3,3'-Diethylthiatricarbocyanine
Property Insights of 3,3'-Diethylthiatricarbocyanine
The XLogP value of 6.8079 indicates that 3,3'-Diethylthiatricarbocyanine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethylthiatricarbocyanine 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?
The CAS number of 3,3'-Diethylthiatricarbocyanine is 32003-36-4.
What is the molecular formula of 3,3'-Diethylthiatricarbocyanine?
The molecular formula of 3,3'-Diethylthiatricarbocyanine is C25H25N2S2+.
What is the molecular weight of 3,3'-Diethylthiatricarbocyanine?
The molecular weight of 3,3'-Diethylthiatricarbocyanine is 417.15 g/mol.
Where can I buy 3,3'-Diethylthiatricarbocyanine?
You can request a quote for 3,3'-Diethylthiatricarbocyanine 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?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethylthiatricarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.