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CAS 477-82-7 11-Methoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one molecular structure lightbox
CAS RN: 477-82-7

11-Methoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one

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  • Product code: starshine_CAS477-82-7
  • Purity/Analytical Methods: >99.0%
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477-82-7 / 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one

Standard CAS: 477-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
477-82-7
Multi CAS
No
Molecular Formula
C16H13NO4
Molecular Weight
283.280000
Exact Mass
283.084458
InChI
InChI=1S/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3
InChIKey
ULBVHYNIDQSMFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
79.37
TPSA
49.69

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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