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CAS 58573-93-6 4-Bromo-4′-heptylbiphenyl molecular structure lightbox
CAS RN: 58573-93-6

4-Bromo-4′-heptylbiphenyl

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 1g In stock Inquiry
Batchno.20250718 25g In stock Inquiry
Batchno.20260602 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-166837
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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: ＞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 58573-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

58573-93-6 / 1-bromo-4-(4-heptylphenyl)benzene

Standard CAS: 58573-93-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58573-93-6
Multi CAS
Yes
Molecular Formula
C19H23BR
Molecular Weight
331.300000
Exact Mass
330.098310
InChI
InChI=1S/C19H23Br/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-15H,2-7H2,1H3
InChIKey
RJQRJLCQHIMUQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
7
Molar refractivity
92.04
TPSA
0.0000

LogP / Solubility

WLOGP
6.63
MLOGP
5.85
XLogP3
7.5
Consensus LogP
6.66
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.03

Drug-likeness / Medicinal Chemistry

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

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