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CAS 67159-88-0 6-bromo-1,1-dimethylindan molecular structure lightbox
CAS RN: 67159-88-0

6-bromo-1,1-dimethylindan

  • Product code: SSC-176801
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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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 67159-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 3 In Stock Hong Kong Inquiry

67159-88-0 / 5-bromo-3,3-dimethyl-1,2-dihydroindene

Standard CAS: 67159-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67159-88-0
Multi CAS
No
Molecular Formula
C11H13BR
Molecular Weight
225.120000
Exact Mass
224.020060
InChI
InChI=1S/C11H13Br/c1-11(2)6-5-8-3-4-9(12)7-10(8)11/h3-4,7H,5-6H2,1-2H3
InChIKey
XTSAEIQNMRIQAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Molar refractivity
55.49
TPSA
0.0000

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
4.3
Consensus LogP
3.74
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

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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