![CAS 68323-30-8 (BICYCLOHEPTENYL)ETHYL]TRIMETHOXYSILANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68323-30-8.gif)
CAS RN: 68323-30-8
(BICYCLOHEPTENYL)ETHYL]TRIMETHOXYSILANE
Product Availability
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS68323-30-8
- Purity/Analytical Methods: >99.0%
68323-30-8 / 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trimethoxysilane
Basic Information
CAS
68323-30-8
Multi CAS
Yes
Molecular Formula
C12H22O3Si
Molecular Weight
242.390000
Exact Mass
242.133821
InChI
InChI=1S/C12H22O3Si/c1-13-16(14-2,15-3)7-6-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12?/m1/s1
InChIKey
WLCVNBXWMQMKGJ-UBNQGINQSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
65.05
TPSA
27.69
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.45
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
5
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