![CAS 69171-62-6 Butanoicacid, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69171-62-6.gif)
CAS RN: 69171-62-6
Butanoicacid, 4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]-
- Product code: SSC-178792
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
69171-62-6 / 4-[tert-butyl(dimethyl)silyl]oxybutanoic acid
Basic Information
CAS
69171-62-6
Multi CAS
Yes
Molecular Formula
C10H22O3Si
Molecular Weight
218.360000
Exact Mass
218.133821
InChI
InChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h6-8H2,1-5H3,(H,11,12)
InChIKey
SSKZSPIXTLWDEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.02
TPSA
46.53
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.01
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
1.5
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![CAS 69176-51-8 (5R)-6β,7β-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene)-5β,6α-diol 5-[(E)-2-methyl-2-butenoate] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69176-51-8.gif)
