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CAS 1455010-26-0 3-[(TERT-BUTYLDIPHENYLSILYL)OXY]-3-METHYLAZETIDINE molecular structure lightbox
CAS RN: 1455010-26-0

3-[(TERT-BUTYLDIPHENYLSILYL)OXY]-3-METHYLAZETIDINE

  • Product code: SSC-056828
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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 1455010-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1455010-26-0 / tert-butyl-(3-methylazetidin-3-yl)oxy-diphenylsilane

Standard CAS: 1455010-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1455010-26-0
Multi CAS
No
Molecular Formula
C20H27NOSi
Molecular Weight
325.500000
Exact Mass
325.186191
SMILES
CC1(CNC1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI
InChI=1S/C20H27NOSi/c1-19(2,3)23(17-11-7-5-8-12-17,18-13-9-6-10-14-18)22-20(4)15-21-16-20/h5-14,21H,15-16H2,1-4H3
InChIKey
OPJPOYVLFFFKQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.98
TPSA
21.26

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.92
Consensus LogP
2.81
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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