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CAS 26033-25-0 3-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 26033-25-0

3-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-122853
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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: 0.25g
  • 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 26033-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

26033-25-0 / 5-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde

Standard CAS: 26033-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26033-25-0
Multi CAS
No
Molecular Formula
C10H7N3O3
Molecular Weight
217.180000
Exact Mass
217.048741
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NN2)C=O
InChI
InChI=1S/C10H7N3O3/c14-6-8-5-11-12-10(8)7-2-1-3-9(4-7)13(15)16/h1-6H,(H,11,12)
InChIKey
DNSRMBHWRSZMRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.07
TPSA
88.89

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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