![CAS 603045-12-1 1,1′-[(1,1-Dimethylethyl)[[(1S)-1-methyl-2-propyn-1-yl]oxy]silylene]bis[benzene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/603045-12-1.gif)
CAS RN: 603045-12-1
1,1′-[(1,1-Dimethylethyl)[[(1S)-1-methyl-2-propyn-1-yl]oxy]silylene]bis[benzene]
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS603045-12-1
- Purity/Analytical Methods: >99.0%
603045-12-1 / tert-butyl-but-3-yn-2-yloxy-diphenylsilane
Basic Information
CAS
603045-12-1
Multi CAS
Yes
Molecular Formula
C20H24OSi
Molecular Weight
308.500000
Exact Mass
308.159642
InChI
InChI=1S/C20H24OSi/c1-6-17(2)21-22(20(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h1,7-17H,2-5H3
InChIKey
XVWMRMBMFLQMJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
97
TPSA
9.23
LogP / Solubility
WLOGP
3.58
MLOGP
3.17
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
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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