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CAS 16584-54-6 1-HYDROXY-10-METHYL-10H-ACRIDIN-9-ONE molecular structure lightbox
CAS RN: 16584-54-6

1-HYDROXY-10-METHYL-10H-ACRIDIN-9-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS16584-54-6
  • Purity/Analytical Methods: >99.0%
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16584-54-6 / 1-hydroxy-10-methylacridin-9-one

Standard CAS: 16584-54-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
16584-54-6
Multi CAS
No
Molecular Formula
C14H11NO2
Molecular Weight
225.240000
Exact Mass
225.078979
SMILES
CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31
InChI
InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3
InChIKey
NHYDBJFGZCQFEO-UHFFFAOYSA-N

Physical Properties

Melting Point
192 - 194 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.36
TPSA
42.23

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
3.8
Consensus LogP
2.77
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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)
-2.39

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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