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CAS 5489-57-6 arborinine molecular structure lightbox
CAS RN: 5489-57-6

arborinine

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100mg In stock Shanghai Inquiry
Batchno.20250303 1g In stock Shanghai Inquiry
Batchno.20260329 250mg In stock Shanghai Inquiry
Batchno.20260214 25mg In stock Shanghai Inquiry
Batchno.20250310 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5489-57-6
  • Purity/Analytical Methods: >99.0%
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5489-57-6 / 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

Standard CAS: 5489-57-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5489-57-6
Multi CAS
No
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
InChI
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChIKey
ATBZZQPALSPNMF-UHFFFAOYSA-N

Physical Properties

Melting Point
175 - 176 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.46
TPSA
60.69

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
3.3
Consensus LogP
2.61
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.75

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
2.5

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