CAS RN: 24493-59-2
METHYLTRIGLYCOLMETHACRYLATE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS24493-59-2
- Purity/Analytical Methods: >99.0%
24493-59-2 / 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
Basic Information
CAS
24493-59-2
Multi CAS
No
Molecular Formula
C11H20O5
Molecular Weight
232.270000
Exact Mass
232.131074
SMILES
CC(=C)C(=O)OCCOCCOCCOC
InChI
InChI=1S/C11H20O5/c1-10(2)11(12)16-9-8-15-7-6-14-5-4-13-3/h1,4-9H2,2-3H3
InChIKey
OBBZSGOPJQSCNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
59.29
TPSA
53.99
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-3.58
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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