CAS RN: 81104-13-4
4-AMINO-10H-ACRIDIN-9-ONE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS81104-13-4
- Purity/Analytical Methods: >99.0%
81104-13-4 / 4-amino-10H-acridin-9-one
Basic Information
CAS
81104-13-4
Multi CAS
Yes
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
InChI
InChI=1S/C13H10N2O/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13(9)16/h1-7H,14H2,(H,15,16)
InChIKey
JXMIIUZBDWKSBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.49
TPSA
58.88
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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