CAS RN: 26335-61-5
hydroxyethyl methacrylate-ethyl methacrylate
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS26335-61-5
- Purity/Analytical Methods: >99.0%
26335-61-5 / ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
Basic Information
CAS
26335-61-5
Multi CAS
No
Molecular Formula
C12H20O5
Molecular Weight
244.280000
Exact Mass
244.131074
InChI
InChI=1S/C6H10O3.C6H10O2/c1-5(2)6(8)9-4-3-7;1-4-8-6(7)5(2)3/h7H,1,3-4H2,2H3;2,4H2,1,3H3
InChIKey
YXDZNWKMCVFFBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.31
TPSA
72.83
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.34
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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