CAS RN: 25119-62-4
STYRENE/ALLYL ALCOHOL COPOLYMER
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS25119-62-4
- Purity/Analytical Methods: >99.0%
25119-62-4 / prop-2-en-1-ol;styrene
Basic Information
CAS
25119-62-4
Multi CAS
No
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
SMILES
C=CCO.C=CC1=CC=CC=C1
InChI
InChI=1S/C8H8.C3H6O/c1-2-8-6-4-3-5-7-8;1-2-3-4/h2-7H,1H2;2,4H,1,3H2
InChIKey
WXNYILVTTOXAFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
20.23
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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