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CAS 97443-80-6 2-Bromo-1,3,5-tricyclohexylbenzene molecular structure lightbox
CAS RN: 97443-80-6

2-Bromo-1,3,5-tricyclohexylbenzene

  • Product code: SSC-212293
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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, 0.25g, 5g, 10g, 25g
  • Available purity: Tech. 90%
  • Inventory rows with stock: 6
  • 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 97443-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Hong Kong Inquiry
1g Tech. 90% 3 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g Tech. 90% 2 In Stock Shenzhen Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g Tech. 90% 2 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g Tech. 90% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g Tech. 90% 0 Out of Stock Beijing Inquiry

97443-80-6 / 2-bromo-1,3,5-tricyclohexylbenzene

Standard CAS: 97443-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97443-80-6
Multi CAS
No
Molecular Formula
C24H35BR
Molecular Weight
403.400000
Exact Mass
402.192210
InChI
InChI=1S/C24H35Br/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h16-20H,1-15H2
InChIKey
WAMFJXQPJPAGHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
3
Molar refractivity
111.62
TPSA
0.0000

LogP / Solubility

WLOGP
8.59
MLOGP
7.59
XLogP3
10.2
Consensus LogP
8.79
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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