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CAS 412048-45-4 4-CHLORO-N-(TERT-BUTYLDIMETHYLSILYL)INDOLE molecular structure lightbox
CAS RN: 412048-45-4

4-CHLORO-N-(TERT-BUTYLDIMETHYLSILYL)INDOLE

  • Product code: SSC-149608
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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: 5g
  • 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 412048-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

412048-45-4 / tert-butyl-(4-chloroindol-1-yl)-dimethylsilane

Standard CAS: 412048-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
412048-45-4
Multi CAS
Yes
Molecular Formula
C14H20CLNSI
Molecular Weight
265.850000
Exact Mass
265.105354
InChI
InChI=1S/C14H20ClNSi/c1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16/h6-10H,1-5H3
InChIKey
PDPSXASABIORPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
79.54
TPSA
4.93

LogP / Solubility

WLOGP
5.15
MLOGP
4.54
XLogP3
5.15
Consensus LogP
4.95
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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