CAS RN: 97451-53-1

6-phenylhexyldimethylchlorosilane

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  • Product code: starshine_CAS97451-53-1
  • Purity/Analytical Methods: >99.0%
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97451-53-1 / chloro-dimethyl-(6-phenylhexyl)silane

Standard CAS: 97451-53-1 Multi CAS: No

Basic Information

CAS
97451-53-1
Multi CAS
No
Molecular Formula
C14H23CLSI
Molecular Weight
254.870000
Exact Mass
254.125755
InChI
InChI=1S/C14H23ClSi/c1-16(2,15)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,3-4,6,9-10,13H2,1-2H3
InChIKey
YIKNKAIDGMTIMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
Molar refractivity
76.76
TPSA
0.0000

LogP / Solubility

WLOGP
5.23
MLOGP
4.61
XLogP3
5.23
Consensus LogP
5.02
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.56

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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