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CAS 25086-15-1 POLYMETHACRYLATE molecular structure lightbox
CAS RN: 25086-15-1

POLYMETHACRYLATE

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Batchno.20260430 500g Out of stock Inquiry
  • Product code: starshine_CAS25086-15-1
  • Purity/Analytical Methods: >99.0%
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25086-15-1 / methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

Standard CAS: 25086-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25086-15-1
Multi CAS
No
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
SMILES
CC(=C)C(=O)O.CC(=C)C(=O)OC
InChI
InChI=1S/C5H8O2.C4H6O2/c1-4(2)5(6)7-3;1-3(2)4(5)6/h1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKey
IWVKTOUOPHGZRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.28
TPSA
63.6

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.87

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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