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CAS 98648-23-8 4′-Nitrobiphenyl-4-carboxaldehyde molecular structure lightbox
CAS RN: 98648-23-8

4′-Nitrobiphenyl-4-carboxaldehyde

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250724 1g In stock Inquiry
Batchno.20250818 250mg In stock Inquiry
Batchno.20260516 250mg / 1g / 5g Out of stock 30 business days Inquiry
Batchno.20250621 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250119 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250623 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260516 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-212797
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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 98648-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

98648-23-8 / 4-(4-nitrophenyl)benzaldehyde

Standard CAS: 98648-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98648-23-8
Multi CAS
No
Molecular Formula
C13H9NO3
Molecular Weight
227.210000
Exact Mass
227.058243
InChI
InChI=1S/C13H9NO3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H
InChIKey
MGHIIGWDUVNPPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.92
TPSA
60.21

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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