CAS RN: 948598-97-8
Methacrylate epoxy cyclosiloxane
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2 package records2 with current stock
- Product code: starshine_CAS948598-97-8
- Purity/Analytical Methods: >99.0%
948598-97-8 / [2-hydroxy-3-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propyl] 2-methylprop-2-enoate
Basic Information
CAS
948598-97-8
Multi CAS
No
Molecular Formula
C32H62O14Si4
Molecular Weight
783.200000
Exact Mass
782.321663
InChI
InChI=1S/C32H62O14Si4/c1-27(2)32(34)42-20-28(33)19-35-11-7-15-47(3)43-48(4,16-8-12-36-21-29-24-39-29)45-50(6,18-10-14-38-23-31-26-41-31)46-49(5,44-47)17-9-13-37-22-30-25-40-30/h28-31,33H,1,7-26H2,2-6H3
InChIKey
MDIPNFHXQNLQFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.91
Rotatable bonds
27
H-bond acceptors
14
H-bond donors
1
Molar refractivity
192.78
TPSA
157.96
LogP / Solubility
WLOGP
3.66
MLOGP
3.29
XLogP3
3.66
Consensus LogP
3.54
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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