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CAS 211108-48-4 tert-Butyl 4-[(Trimethylsilanyl)oxy]-3,6-dihydro-2H-pyridine-1-carboxylate molecular structure lightbox
CAS RN: 211108-48-4

tert-Butyl 4-[(Trimethylsilanyl)oxy]-3,6-dihydro-2H-pyridine-1-carboxylate

  • Product code: SSC-100719
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 211108-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

211108-48-4 / tert-butyl 4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 211108-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211108-48-4
Multi CAS
No
Molecular Formula
C13H25NO3Si
Molecular Weight
271.430000
Exact Mass
271.160370
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)O[Si](C)(C)C
InChI
InChI=1S/C13H25NO3Si/c1-13(2,3)16-12(15)14-9-7-11(8-10-14)17-18(4,5)6/h7H,8-10H2,1-6H3
InChIKey
FHMYTVUBQZSSNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.94
TPSA
38.77

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

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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