CAS RN: 25639-21-8
POLY(OCTADECYL METHACRYLATE)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS25639-21-8
- Purity/Analytical Methods: >99.0%
25639-21-8 / octadecyl 2-methylprop-2-enoate
Basic Information
CAS
25639-21-8
Multi CAS
No
Molecular Formula
C22H42O2
Molecular Weight
338.600000
Exact Mass
338.318481
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3
InChIKey
HMZGPNHSPWNGEP-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid; Liquid, Other Solid
Clear colorless to very pale yellow liquid; mp = 20 deg C
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
2
Molar refractivity
105.32
TPSA
26.3
LogP / Solubility
WLOGP
7.37
MLOGP
6.5
XLogP3
10.5
Consensus LogP
8.12
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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