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CAS 59734-92-8 1-BROMO-2-CYCLOHEXYLBENZENE molecular structure lightbox
CAS RN: 59734-92-8

1-BROMO-2-CYCLOHEXYLBENZENE

  • Product code: SSC-168272
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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: 25g
  • Available purity: ≥95%
  • 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 59734-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

59734-92-8 / 1-bromo-2-cyclohexylbenzene

Standard CAS: 59734-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59734-92-8
Multi CAS
No
Molecular Formula
C12H15BR
Molecular Weight
239.150000
Exact Mass
238.035710
InChI
InChI=1S/C12H15Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey
BXMDAGGQRIDSPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
59.97
TPSA
0.0000

LogP / Solubility

WLOGP
4.5
MLOGP
3.96
XLogP3
5.1
Consensus LogP
4.52
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-0.99

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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