CAS RN: 299912-77-9
6-((tert-butyldimethylsilyl)oxy)benzofuran-3(2H)-one
- Product code: SSC-133503
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
299912-77-9 / 6-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-3-one
Basic Information
CAS
299912-77-9
Multi CAS
No
Molecular Formula
C14H20O3Si
Molecular Weight
264.390000
Exact Mass
264.118171
InChI
InChI=1S/C14H20O3Si/c1-14(2,3)18(4,5)17-10-6-7-11-12(15)9-16-13(11)8-10/h6-8H,9H2,1-5H3
InChIKey
GINXPHDRULGHRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.09
TPSA
35.53
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.65
Consensus LogP
3.51
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.74
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 299921-59-8 4-[[(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]METHYL]BENZONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299921-59-8.png)