CAS RN: 581-29-3
acridin-3-ylamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250528 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS581-29-3
- Purity/Analytical Methods: >99.0%
581-29-3 / acridin-3-amine
Basic Information
CAS
581-29-3
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
InChI
InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2
InChIKey
GHCKERHPOQWERJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.66
TPSA
38.91
LogP / Solubility
WLOGP
2.97
MLOGP
2.61
XLogP3
2.8
Consensus LogP
2.79
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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