CAS RN: 4395-65-7
1-AMINO-4-ANILINOANTHRAQUINONE
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.20251118 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4395-65-7
- Purity/Analytical Methods: >99.0%
4395-65-7 / 1-amino-4-anilinoanthracene-9,10-dione
Basic Information
CAS
4395-65-7
Multi CAS
No
Molecular Formula
C20H14N2O2
Molecular Weight
314.300000
Exact Mass
314.105528
InChI
InChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2
InChIKey
XUDJOVURIXHNRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.89
TPSA
72.19
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
4.8
Consensus LogP
3.98
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
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)
-1.95
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
No
Synthetic Accessibility
3
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