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CAS 57190-17-7 2-Bromo-1,3-diisopropylbenzene molecular structure lightbox
CAS RN: 57190-17-7

2-Bromo-1,3-diisopropylbenzene

  • Product code: SSC-165286
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 57190-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Shenzhen Inquiry
500g >95% 0 Out of Stock Hong Kong Inquiry

57190-17-7 / 2-bromo-1,3-di(propan-2-yl)benzene

Standard CAS: 57190-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57190-17-7
Multi CAS
No
Molecular Formula
C12H17BR
Molecular Weight
241.170000
Exact Mass
240.051360
InChI
InChI=1S/C12H17Br/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChIKey
QEOQKWIURDCGIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
62.32
TPSA
0.0000

LogP / Solubility

WLOGP
4.7
MLOGP
4.14
XLogP3
4.8
Consensus LogP
4.55
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

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

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