CAS RN: 1848239-63-3
Methyl 3-(((tert-butyldimethylsilyl)oxy)methyl)cyclobutane-1-carboxylate
- Product code: SSC-085424
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 |
1848239-63-3 / methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutane-1-carboxylate
Basic Information
CAS
1848239-63-3
Multi CAS
No
Molecular Formula
C13H26O3Si
Molecular Weight
258.430000
Exact Mass
258.165121
SMILES
CC(C)(C)[Si](C)(C)OCC1CC(C1)C(=O)OC
InChI
InChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-9-10-7-11(8-10)12(14)15-4/h10-11H,7-9H2,1-6H3
InChIKey
UGBLCUDMDSXPEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
71.38
TPSA
35.53
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.21
Consensus LogP
3.08
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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