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CAS 3049-31-8 1,4-phenylene bismethacrylate molecular structure lightbox
CAS RN: 3049-31-8

1,4-phenylene bismethacrylate

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3 package records3 with current stock1 grade group
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Batchno.20250915 100mg In stock Inquiry
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  • Product code: starshine_CAS3049-31-8
  • Purity/Analytical Methods: >99.0%
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3049-31-8 / [4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

Standard CAS: 3049-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3049-31-8
Multi CAS
Yes
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
InChI
InChI=1S/C14H14O4/c1-9(2)13(15)17-11-5-7-12(8-6-11)18-14(16)10(3)4/h5-8H,1,3H2,2,4H3
InChIKey
MDMKOESKPAVFJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.34
TPSA
52.6

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
3.4
Consensus LogP
2.8
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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