Cascade Blue
TL;DR: Cascade Blue (CAS 1325-87-7) is a chemical compound with molecular formula C33H40N3+ and molecular weight 478.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Also Known As: Cascade blue, Pigment Blue 1, Netilmicinsulfate, Fanatone Blue B, C.I. Pigment Blue 1
| Molecular Formula | C33H40N3+ |
|---|---|
| Molecular Weight | 478.32 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 18.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.32224 |
| Heavy Atoms | 36 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 1325-87-7 |
|---|---|
| SMILES | CCNC1=CC(=CC2=CC=CC=C21)C(=C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC |
| InChIKey | CZPLANDPABRVHX-UHFFFAOYSA-N |
Product Overview
Cascade Blue (CAS 1325-87-7), with molecular formula C33H40N3+ and molecular weight 478.32 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-2-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium.
Chemical Property Profile of Cascade Blue
Property Insights of Cascade Blue
The XLogP value of 7.7 indicates that Cascade Blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.3 Ų, Cascade Blue exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cascade Blue has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cascade Blue?
The CAS number of Cascade Blue is 1325-87-7.
What is the molecular formula of Cascade Blue?
The molecular formula of Cascade Blue is C33H40N3+.
What is the molecular weight of Cascade Blue?
The molecular weight of Cascade Blue is 478.32 g/mol.
Where can I buy Cascade Blue?
You can request a quote for Cascade Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cascade Blue?
Yes, KEHONG BIO provides custom synthesis services for Cascade Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.