RefChem:499508
TL;DR: RefChem:499508 (CAS 53213-85-7) is a chemical compound with molecular formula C25H29IN2S2 and molecular weight 548.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-butyl-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
Also Known As: DiSC4(3), EINECS 258-430-1, 3,3'-Dibutylthiacarbocyanine iodide, 33'-DIBUTYLTHIACARBOCYANINEIODIDE, 3,3`-Dibutylthiacarbocyanine iodide,for fluorescence
| Molecular Formula | C25H29IN2S2 |
|---|---|
| Molecular Weight | 548.08 g/mol |
| LogP | 4.2599 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.08167 |
| Heavy Atoms | 30 |
| Complexity | 1038.5596 |
Chemical Identifiers
| CAS Number | 53213-85-7 |
|---|---|
| SMILES | CCCCN\1C2=CC=CC=C2S/C1=C/C=C/C3=[N+](C4=CC=CC=C4S3)CCCC.[I-] |
Product Overview
RefChem:499508 (CAS 53213-85-7), with molecular formula C25H29IN2S2 and molecular weight 548.08 g/mol. IUPAC: (2E)-3-butyl-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of RefChem:499508
Property Insights of RefChem:499508
The XLogP value of 4.2599 indicates that RefChem:499508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, RefChem:499508 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:499508 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 RefChem:499508?
The CAS number of RefChem:499508 is 53213-85-7.
What is the molecular formula of RefChem:499508?
The molecular formula of RefChem:499508 is C25H29IN2S2.
What is the molecular weight of RefChem:499508?
The molecular weight of RefChem:499508 is 548.08 g/mol.
Where can I buy RefChem:499508?
You can request a quote for RefChem:499508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:499508?
Yes, KEHONG BIO provides custom synthesis services for RefChem:499508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.