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CAS 1382646-51-6 2′-bromo-2,4,6-triisopropyl-1,1′-biphenyl molecular structure lightbox
CAS RN: 1382646-51-6

2′-bromo-2,4,6-triisopropyl-1,1′-biphenyl

  • Product code: SSC-048193
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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 1382646-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1382646-51-6 / 2-(2-bromophenyl)-1,3,5-tri(propan-2-yl)benzene

Standard CAS: 1382646-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1382646-51-6
Multi CAS
No
Molecular Formula
C21H27Br
Molecular Weight
359.300000
Exact Mass
358.129610
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2Br)C(C)C
InChI
InChI=1S/C21H27Br/c1-13(2)16-11-18(14(3)4)21(19(12-16)15(5)6)17-9-7-8-10-20(17)22/h7-15H,1-6H3
InChIKey
BUDPPJGEOYUCMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
Molar refractivity
101.85
TPSA
0.0000

LogP / Solubility

WLOGP
7.49
MLOGP
6.61
XLogP3
7.6
Consensus LogP
7.23
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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