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CAS 162848-25-1 3-nitro-4-(1H-pyrazol-1-yl)benzoic acid molecular structure lightbox
CAS RN: 162848-25-1

3-nitro-4-(1H-pyrazol-1-yl)benzoic acid

Product Availability

Choose a grade to view its available package options.

5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 1g In stock Shanghai Inquiry
Batchno.20250626 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 1g Out of stock Inquiry
Batchno.20250919 25g Out of stock Inquiry
Batchno.20260603 5g Out of stock Inquiry
  • Product code: SSC-070284
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 1g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 162848-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

162848-25-1 / 3-nitro-4-pyrazol-1-ylbenzoic acid

Standard CAS: 162848-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162848-25-1
Multi CAS
No
Molecular Formula
C10H7N3O4
Molecular Weight
233.180000
Exact Mass
233.043656
SMILES
C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4/c14-10(15)7-2-3-8(9(6-7)13(16)17)12-5-1-4-11-12/h1-6H,(H,14,15)
InChIKey
YPKLOOQBMQJXKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.18
TPSA
98.26

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.09

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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