CAS RN: 24991-47-7

Poly(4-chlorostyrene)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS24991-47-7
  • Purity/Analytical Methods: >99.0%
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24991-47-7 / 1-chloro-4-ethenylbenzene

Standard CAS: 24991-47-7 Multi CAS: No

Basic Information

CAS
24991-47-7
Multi CAS
No
Molecular Formula
C8H7Cl
Molecular Weight
138.590000
Exact Mass
138.023628
SMILES
C=CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey
KTZVZZJJVJQZHV-UHFFFAOYSA-N

Physical Properties

Melting Point
-15.90 °C
Boiling Point
192 °C
Density
1.0868 @ 20 °C/4 °C
Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
41.54
TPSA
0.0000

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3.7
Consensus LogP
3.1
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-1.45

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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