CAS RN: 68988-57-8
HYDRIDE Q RESIN
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS68988-57-8
- Purity/Analytical Methods: >99.0%
68988-57-8 / HYDRIDE Q RESIN
Basic Information
CAS
68988-57-8
Multi CAS
Yes
Molecular Formula
C10H26CLO4SI2
Molecular Weight
301.930000
Exact Mass
301.105815
InChI
InChI=1S/C8H20O4Si.C2H6ClSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-4(2)3/h5-8H2,1-4H3;1-2H3
InChIKey
DGGWFOAMZZNWAV-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
Clear liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
75.59
TPSA
36.92
LogP / Solubility
WLOGP
3.04
MLOGP
2.69
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
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
