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CAS 47162-00-5 4-n-Octanoylbiphenyl molecular structure lightbox
CAS RN: 47162-00-5

4-n-Octanoylbiphenyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-154126
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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: 10g
  • 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 47162-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

47162-00-5 / 1-(4-phenylphenyl)octan-1-one

Standard CAS: 47162-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
47162-00-5
Multi CAS
No
Molecular Formula
C20H24O
Molecular Weight
280.400000
Exact Mass
280.182715
InChI
InChI=1S/C20H24O/c1-2-3-4-5-9-12-20(21)19-15-13-18(14-16-19)17-10-7-6-8-11-17/h6-8,10-11,13-16H,2-5,9,12H2,1H3
InChIKey
JSNGEMRLSPQOOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
89.58
TPSA
17.07

LogP / Solubility

WLOGP
5.9
MLOGP
5.2
XLogP3
6.6
Consensus LogP
5.9
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.24

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
2.5

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