Disperse Blue 354
TL;DR: Disperse Blue 354 (CAS 104137-27-1) is a chemical compound with molecular formula C31H37N3O2S-2 and molecular weight 515.2606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[[4-(dihexylamino)-2-methylphenyl]methylidene]-1,1-dioxido-1-benzothiophen-3-ylidene]propanedinitrile
Also Known As: Disperse Blue 354
Technical Specifications
| Molecular Formula | C31H37N3O2S-2 |
| Molecular Weight | 515.2606 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 515.2606 Da |
| Heavy Atoms | 37 |
| Complexity | 878.0 |
| SMILES | CCCCCCN(CCCCCC)C1=CC(=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3S2([O-])[O-])C |
| InChIKey | PKTFYZSGZNKQIM-UHFFFAOYSA-L |
Chemical Property Profile of Disperse Blue 354
Property Insights of Disperse Blue 354
The XLogP value of 7.9 indicates that Disperse Blue 354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Disperse Blue 354. Following Lipinski's Rule of Five, Disperse Blue 354 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Disperse Blue 354?
The CAS number of Disperse Blue 354 is 104137-27-1.
What is the molecular formula of Disperse Blue 354?
The molecular formula of Disperse Blue 354 is C31H37N3O2S-2.
What is the molecular weight of Disperse Blue 354?
The molecular weight of Disperse Blue 354 is 515.2606 g/mol.
Where can I buy Disperse Blue 354?
You can request a quote for Disperse Blue 354 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Disperse Blue 354?
Yes, CoreyChem provides custom synthesis services for Disperse Blue 354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.