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CAS 22198-72-7 4-Aminoantipyrine Hydrochloride [for Biochemical Research] molecular structure lightbox
CAS RN: 22198-72-7

4-Aminoantipyrine Hydrochloride [for Biochemical Research]

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260309 100g Out of stock 5-7 business days Inquiry
Batchno.20250126 1g In stock Shanghai, Shandong Inquiry
Batchno.20251005 25g In stock Shanghai Inquiry
Batchno.20260512 5g In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250818 1g In stock Inquiry
Batchno.20250326 25g In stock Inquiry
Batchno.20250619 5g In stock Inquiry
  • Product code: SSC-106777
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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 22198-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

22198-72-7 / 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride

Standard CAS: 22198-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22198-72-7
Multi CAS
No
Molecular Formula
C11H14ClN3O
Molecular Weight
239.700000
Exact Mass
239.082540
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C11H13N3O.ClH/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7H,12H2,1-2H3;1H
InChIKey
UZSCVCWALGRUTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.41
TPSA
52.95

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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