Disperse blue 87
TL;DR: Disperse blue 87 (CAS 13418-49-0) is a chemical compound with molecular formula C20H18N4O4 and molecular weight 378.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,11-diamino-1-imino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione
Also Known As: Disperse blue 87, Turq Blue S-BLN, Disperse blue 87, Atx 70, C.I. Disperse Blue 87
Technical Specifications
| Molecular Formula | C20H18N4O4 |
| Molecular Weight | 378.1328 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.1328 Da |
| Heavy Atoms | 28 |
| Complexity | 710.0 |
| SMILES | COCCCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | ZCMWRFQVYXHUQN-UHFFFAOYSA-N |
Chemical Property Profile of Disperse blue 87
Property Insights of Disperse blue 87
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disperse blue 87. The TPSA of 140.0 Ų indicates high polarity, suggesting Disperse blue 87 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disperse blue 87 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Disperse blue 87?
The CAS number of Disperse blue 87 is 13418-49-0.
What is the molecular formula of Disperse blue 87?
The molecular formula of Disperse blue 87 is C20H18N4O4.
What is the molecular weight of Disperse blue 87?
The molecular weight of Disperse blue 87 is 378.1328 g/mol.
Where can I buy Disperse blue 87?
You can request a quote for Disperse blue 87 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Disperse blue 87?
Yes, CoreyChem provides custom synthesis services for Disperse blue 87 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.