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CAS 24979-70-2 Poly(p-hydroxystyrene) molecular structure lightbox
CAS RN: 24979-70-2

Poly(p-hydroxystyrene)

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  • Product code: starshine_CAS24979-70-2
  • Purity/Analytical Methods: >99.0%
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24979-70-2 / 4-ethenylphenol

Standard CAS: 24979-70-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24979-70-2
Multi CAS
No
Molecular Formula
C8H8O
Molecular Weight
120.150000
Exact Mass
120.057515
SMILES
C=CC1=CC=C(C=C1)O
InChI
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKey
FUGYGGDSWSUORM-UHFFFAOYSA-N

Physical Properties

Melting Point
73.5 °C
Physical Description
Solid White solid, vanilla extract odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.2
TPSA
20.23

LogP / Solubility

WLOGP
2.04
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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