CAS RN: 5486-84-0
FAST BLUE BB SALT
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-162676
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
5486-84-0 / bis(4-benzamido-2,5-diethoxybenzenediazonium);dichlorozinc;dichloride
Basic Information
CAS
5486-84-0
Multi CAS
Yes
Molecular Formula
C34H36CL4N6O6ZN
Molecular Weight
831.900000
Exact Mass
830.071235
InChI
InChI=1S/2C17H17N3O3.4ClH.Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h2*5-11H,3-4H2,1-2H3;4*1H;/q;;;;;;+2/p-2
InChIKey
CMFRFQODFZBKTI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
2
Molar refractivity
187.54
TPSA
151.42
LogP / Solubility
WLOGP
3.83
MLOGP
3.44
XLogP3
3.83
Consensus LogP
3.7
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-9.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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