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CAS 7116-96-3 4-Pentylbiphenyl molecular structure lightbox
CAS RN: 7116-96-3

4-Pentylbiphenyl

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260227 25ml In stock Inquiry
Batchno.20260215 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250502 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250521 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251107 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250714 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251027 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251009 5ml / 25ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-180824
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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 7116-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

7116-96-3 / 1-pentyl-4-phenylbenzene

Standard CAS: 7116-96-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7116-96-3
Multi CAS
Yes
Molecular Formula
C17H20
Molecular Weight
224.340000
Exact Mass
224.156501
InChI
InChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKey
IFUOTAQBVGAZPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
Molar refractivity
75.11
TPSA
0.0000

LogP / Solubility

WLOGP
5.09
MLOGP
4.48
XLogP3
6.6
Consensus LogP
5.39
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-0.48

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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