IR 26 (Dye 26)
TL;DR: IR 26 (Dye 26) (CAS 76871-75-5) is a chemical compound with molecular formula C40H30Cl2O4S2 and molecular weight 708.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-chloro-3-[2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate
Also Known As: DYE 26, IR 26 (Dye 26), 4H-1-Benzothiopyran, 1-benzothiopyrylium deriv.; Dye 26; IR 26; NSC 379522; 4-[2-[2-Chloro-3-[(2-phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-2-phenyl-1-benzothiopyrylium Perchlorate
| Molecular Formula | C40H30Cl2O4S2 |
|---|---|
| Molecular Weight | 708.10 g/mol |
| LogP | 7.9402 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 708.09625 |
| Heavy Atoms | 48 |
| Complexity | 2073.644 |
Chemical Identifiers
| CAS Number | 76871-75-5 |
|---|---|
| SMILES | C1CC(=C(C(=CC=C2C=C(SC3=CC=CC=C32)C4=CC=CC=C4)C1)Cl)C=CC5=CC(=[S+]C6=CC=CC=C65)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O |
Product Overview
IR 26 (Dye 26) (CAS 76871-75-5), with molecular formula C40H30Cl2O4S2 and molecular weight 708.10 g/mol. IUPAC: 4-[2-[2-chloro-3-[2-(2-phenylthiochromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylthiochromenylium perchlorate.
Chemical Property Profile of IR 26 (Dye 26)
Property Insights of IR 26 (Dye 26)
The XLogP value of 7.9402 indicates that IR 26 (Dye 26) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IR 26 (Dye 26). Following Lipinski's Rule of Five, IR 26 (Dye 26) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IR 26 (Dye 26)?
The CAS number of IR 26 (Dye 26) is 76871-75-5.
What is the molecular formula of IR 26 (Dye 26)?
The molecular formula of IR 26 (Dye 26) is C40H30Cl2O4S2.
What is the molecular weight of IR 26 (Dye 26)?
The molecular weight of IR 26 (Dye 26) is 708.10 g/mol.
Where can I buy IR 26 (Dye 26)?
You can request a quote for IR 26 (Dye 26) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IR 26 (Dye 26)?
Yes, KEHONG BIO provides custom synthesis services for IR 26 (Dye 26) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.