CAS RN: 12222-69-4
DISPERSE BLACK 9
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250216 | 100g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20251022 | 25g | In stock | Shanghai, Shandong, Hebei | Inquiry | |
| Batchno.20250106 | 500g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251215 | 5g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS12222-69-4
- Purity/Analytical Methods: >99.0%
12222-69-4 / 2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Basic Information
CAS
12222-69-4
Multi CAS
No
Molecular Formula
C16H20N4O2
Molecular Weight
300.360000
Exact Mass
300.158626
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N(CCO)CCO
InChI
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2
InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
87.86
TPSA
94.44
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
1.8
Consensus LogP
2.16
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (56.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (55.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (55.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (91.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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