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CAS 3847-57-2 sodium 4-nitrobenzoate molecular structure lightbox
CAS RN: 3847-57-2

sodium 4-nitrobenzoate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260206 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260514 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260130 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-146105
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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 3847-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

3847-57-2 / sodium 4-nitrobenzoate

Standard CAS: 3847-57-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3847-57-2
Multi CAS
Yes
Molecular Formula
C7H4NNAO4
Molecular Weight
189.100000
Exact Mass
189.003802
InChI
InChI=1S/C7H5NO4.Na/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey
UFLMJULGUPSTCY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
37.43
TPSA
83.27

LogP / Solubility

WLOGP
-3.04
MLOGP
-2.67
XLogP3
-3.04
Consensus LogP
-2.92
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
1.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.39
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03

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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