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CAS 149184-19-0 Irenolone molecular structure lightbox
CAS RN: 149184-19-0

Irenolone

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Batchno.20250106 5mg Out of stock Inquiry
  • Product code: starshine_CAS149184-19-0
  • Purity/Analytical Methods: >99.0%
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149184-19-0 / 2-hydroxy-4-(4-hydroxyphenyl)phenalen-1-one

Standard CAS: 149184-19-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
149184-19-0
Multi CAS
No
Molecular Formula
C19H12O3
Molecular Weight
288.300000
Exact Mass
288.078644
SMILES
C1=CC2=C3C(=C1)C(=O)C(=CC3=C(C=C2)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C19H12O3/c20-13-7-4-11(5-8-13)14-9-6-12-2-1-3-15-18(12)16(14)10-17(21)19(15)22/h1-10,20-21H
InChIKey
UQMKPTIDKHEGFW-UHFFFAOYSA-N

Physical Properties

Melting Point
285 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.99
TPSA
57.53

LogP / Solubility

WLOGP
4.31
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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