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CAS 7369-50-8 1-ethyl-3-nitrobenzene molecular structure lightbox
CAS RN: 7369-50-8

1-ethyl-3-nitrobenzene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250309 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260110 1g Out of stock 5-7 business days Inquiry
Batchno.20250207 250mg In stock Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250211 1g In stock Shandong, Hebei Inquiry
Batchno.20250727 250mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-183087
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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: ≥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 7369-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7369-50-8 / 1-ethyl-3-nitrobenzene

Standard CAS: 7369-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7369-50-8
Multi CAS
Yes
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3
InChIKey
RXAKLPGKSXJZEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.47
TPSA
43.14

LogP / Solubility

WLOGP
2.16
MLOGP
1.89
XLogP3
2.9
Consensus LogP
2.32
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

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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