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CAS 6683-74-5 Benzene, 2-bromo-1,4-bis(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 6683-74-5

Benzene, 2-bromo-1,4-bis(1,1-dimethylethyl)-

  • Product code: SSC-176473
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • 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 6683-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Beijing Inquiry

6683-74-5 / 2-bromo-1,4-ditert-butylbenzene

Standard CAS: 6683-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6683-74-5
Multi CAS
No
Molecular Formula
C14H21BR
Molecular Weight
269.220000
Exact Mass
268.082660
InChI
InChI=1S/C14H21Br/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,1-6H3
InChIKey
JFRPIGCUUJRXMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
Molar refractivity
71.54
TPSA
0.0000

LogP / Solubility

WLOGP
5.04
MLOGP
4.45
XLogP3
6
Consensus LogP
5.16
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-0.78

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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