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CAS 54646-75-2 1-BROMO-8-PHENYLOCTANE molecular structure lightbox
CAS RN: 54646-75-2

1-BROMO-8-PHENYLOCTANE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 1g In stock Inquiry
Batchno.20251214 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-162411
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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: 1g
  • 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 54646-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

54646-75-2 / 8-bromooctylbenzene

Standard CAS: 54646-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54646-75-2
Multi CAS
Yes
Molecular Formula
C14H21BR
Molecular Weight
269.220000
Exact Mass
268.082660
InChI
InChI=1S/C14H21Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
InChIKey
XGBMCFCZEKCCDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
Molar refractivity
71.64
TPSA
0.0000

LogP / Solubility

WLOGP
4.96
MLOGP
4.38
XLogP3
6.5
Consensus LogP
5.28
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble

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)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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