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CAS 91538-82-8 4-trans-Ethylcyclohexylbromobenzene molecular structure lightbox
CAS RN: 91538-82-8

4-trans-Ethylcyclohexylbromobenzene

  • Product code: SSC-204769
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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: 100g
  • Available purity: ＞97%
  • 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 91538-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

91538-82-8 / 1-bromo-4-(4-ethylcyclohexyl)benzene

Standard CAS: 91538-82-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91538-82-8
Multi CAS
Yes
Molecular Formula
C14H19BR
Molecular Weight
267.200000
Exact Mass
266.067010
InChI
InChI=1S/C14H19Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h7-12H,2-6H2,1H3
InChIKey
UZNPLXSOLSAKGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
Molar refractivity
69.13
TPSA
0.0000

LogP / Solubility

WLOGP
5.13
MLOGP
4.53
XLogP3
5.9
Consensus LogP
5.19
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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)
-0.71

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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