CAS RN: 6408-50-0
Solvent Blue 63
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6408-50-0
- Purity/Analytical Methods: >99.0%
6408-50-0 / 1-(methylamino)-4-(3-methylanilino)anthracene-9,10-dione
Basic Information
CAS
6408-50-0
Multi CAS
No
Molecular Formula
C22H18N2O2
Molecular Weight
342.400000
Exact Mass
342.136828
InChI
InChI=1S/C22H18N2O2/c1-13-6-5-7-14(12-13)24-18-11-10-17(23-2)19-20(18)22(26)16-9-4-3-8-15(16)21(19)25/h3-12,23-24H,1-2H3
InChIKey
GBAJQXFGDKEDBM-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
103.76
TPSA
58.2
LogP / Solubility
WLOGP
4.56
MLOGP
4.03
XLogP3
5.9
Consensus LogP
4.83
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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