CAS RN: 5582-62-7
PROPARGYLOXYTRIMETHYLSILANE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS5582-62-7
- Purity/Analytical Methods: >99.0%
5582-62-7 / 3-trimethylsilylprop-2-yn-1-ol
Basic Information
CAS
5582-62-7
Multi CAS
Yes
Molecular Formula
C6H12OSi
Molecular Weight
128.240000
Exact Mass
128.065742
InChI
InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3
InChIKey
ZZRPJWCNCLSOLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.21
TPSA
20.23
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.86
Consensus LogP
0.82
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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