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CAS 51554-93-9 1-Bromo-4-n-octylbenzene molecular structure lightbox
CAS RN: 51554-93-9

1-Bromo-4-n-octylbenzene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250110 100g Out of stock Inquiry
Batchno.20250402 1g In stock Inquiry
Batchno.20251009 25g In stock Inquiry
Batchno.20250512 5g In stock Inquiry
  • Product code: SSC-158452
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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, 5g, 10g, 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 51554-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

51554-93-9 / 1-bromo-4-octylbenzene

Standard CAS: 51554-93-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51554-93-9
Multi CAS
Yes
Molecular Formula
C14H21BR
Molecular Weight
269.220000
Exact Mass
268.082660
InChI
InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3
InChIKey
OOZQSVXPBCINJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
Molar refractivity
71.22
TPSA
0.0000

LogP / Solubility

WLOGP
5.35
MLOGP
4.72
XLogP3
6.4
Consensus LogP
5.49
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
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)
-0.56

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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