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CAS 169332-15-4 1-[4-( Triisopropylsilyl)oxylp henyl]- 2-(4-hydroxy-4-pheny1piperidino)-1-propanone molecular structure lightbox
CAS RN: 169332-15-4

1-[4-( Triisopropylsilyl)oxylp henyl]- 2-(4-hydroxy-4-pheny1piperidino)-1-propanone

  • Product code: SSC-073926
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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 169332-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

169332-15-4 / 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]propan-1-one

Standard CAS: 169332-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169332-15-4
Multi CAS
No
Molecular Formula
C29H43NO3Si
Molecular Weight
481.700000
Exact Mass
481.301221
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)C(=O)C(C)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C29H43NO3Si/c1-21(2)34(22(3)4,23(5)6)33-27-15-13-25(14-16-27)28(31)24(7)30-19-17-29(32,18-20-30)26-11-9-8-10-12-26/h8-16,21-24,32H,17-20H2,1-7H3
InChIKey
UNRHYKUJRVFZKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
143.06
TPSA
49.77

LogP / Solubility

WLOGP
6.8
MLOGP
6.01
XLogP3
6.8
Consensus LogP
6.54
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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