CAS RN: 63148-52-7

Poly(dimethylsiloxane-co-methylphenylsiloxane)

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  • Product code: starshine_CAS63148-52-7
  • Purity/Analytical Methods: >99.0%
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63148-52-7 / dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxy-trimethylsilyloxysilane

Standard CAS: 63148-52-7 Multi CAS: Yes

Basic Information

CAS
63148-52-7
Multi CAS
Yes
Molecular Formula
C15H32O3Si4
Molecular Weight
372.750000
Exact Mass
372.142851
InChI
InChI=1S/C15H32O3Si4/c1-19(2,3)16-21(7,8)18-22(9,17-20(4,5)6)15-13-11-10-12-14-15/h10-14H,1-9H3
InChIKey
BQGDMISTAHNVCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
105.12
TPSA
27.69

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
4.39
Consensus LogP
4.22
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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