CAS RN: 25608-63-3
POLY(1,4-PHENYLENE ETHER-SULFONE)
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3 package records1 with current stock3 grade groups
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| Batchno.20250809 |
1g / 5g / 25g / 100g / 500g |
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| Batchno.20250819 |
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Product code:
starshine_CAS25608-63-3
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Purity/Analytical Methods:
>99.0%
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25608-63-3 / 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)sulfonylphenol
Standard CAS: 25608-63-3
Multi CAS: No
Basic Information
CAS
25608-63-3
Multi CAS
No
Molecular Formula
C24H18Cl2O6S2
Molecular Weight
537.400000
Exact Mass
535.992186
SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O.C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O2S.C12H10O4S/c2*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H;1-8,13-14H
InChIKey
ROZZZIADHBXKGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
130.02
TPSA
108.74
LogP / Solubility
WLOGP
5.76
MLOGP
5.11
XLogP3
5.76
Consensus LogP
5.54
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3