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CAS 13082-10-5 1,3-Dimethoxy-10-methyl-9(10H)-acridinone molecular structure lightbox
CAS RN: 13082-10-5

1,3-Dimethoxy-10-methyl-9(10H)-acridinone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS13082-10-5
  • Purity/Analytical Methods: >99.0%
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13082-10-5 / 1,3-dimethoxy-10-methylacridin-9-one

Standard CAS: 13082-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13082-10-5
Multi CAS
No
Molecular Formula
C16H15NO3
Molecular Weight
269.290000
Exact Mass
269.105193
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3OC)OC
InChI
InChI=1S/C16H15NO3/c1-17-12-7-5-4-6-11(12)16(18)15-13(17)8-10(19-2)9-14(15)20-3/h4-9H,1-3H3
InChIKey
WNNQYTLUXXDDQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.8
TPSA
40.46

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
3.1
Consensus LogP
2.73
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.44

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
1.5

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