CAS RN: 82-28-0
1-Amino-2-methylanthraquinone
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260120 | 5g | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTA1255
- Purity/Analytical Methods: >90.0%(N)
82-28-0 / 1-amino-2-methylanthracene-9,10-dione
Basic Information
CAS
82-28-0
Multi CAS
No
Molecular Formula
C15H11NO2
Molecular Weight
237.250000
Exact Mass
237.078979
InChI
InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
InChIKey
ZLCUIOWQYBYEBG-UHFFFAOYSA-N
Physical Properties
Melting Point
401 °F (NTP, 1992)
205.5 °C
UV: 1371 (Absorption Spectra in the UV and Visible Regions, Academic Press, New York); MP: 181 °C /1-Amino-4-methylanthraquinone/
Physical Description
1-amino-2-methylanthraquinone is a red powder. (NTP, 1992)
Orange to dark red solid; [HSDB] Red solid; [CAMEO]
Appearance
Orange to dark red powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.9
TPSA
60.16
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
3.1
Consensus LogP
2.51
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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