Merocyanine dye
TL;DR: Merocyanine dye (CAS 130926-58-8) is a chemical compound with molecular formula C26H33N3O6S2 and molecular weight 547.1811 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
Also Known As: Merocyanine dye, Merocyanine 540, GEVA-NCDDG, P-MC-540, MC 540
Technical Specifications
| Molecular Formula | C26H33N3O6S2 |
| Molecular Weight | 547.1811 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 547.1811 Da |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
| SMILES | CCCCN1C(=O)C(=C/C=C/C=C/2\N(C3=CC=CC=C3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC |
| InChIKey | SKDUSRXOWAXOCO-ZREQCHBWSA-N |
Chemical Property Profile of Merocyanine dye
Property Insights of Merocyanine dye
The XLogP value of 4.6 indicates that Merocyanine dye is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Merocyanine dye may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Merocyanine dye has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Merocyanine dye?
The CAS number of Merocyanine dye is 130926-58-8.
What is the molecular formula of Merocyanine dye?
The molecular formula of Merocyanine dye is C26H33N3O6S2.
What is the molecular weight of Merocyanine dye?
The molecular weight of Merocyanine dye is 547.1811 g/mol.
Where can I buy Merocyanine dye?
You can request a quote for Merocyanine dye directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Merocyanine dye?
Yes, CoreyChem provides custom synthesis services for Merocyanine dye and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.