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CAS 400752-98-9 1H-Pyrazole,4-chloro-3-nitro-(9CI) molecular structure lightbox
CAS RN: 400752-98-9

1H-Pyrazole,4-chloro-3-nitro-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-147999
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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 400752-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

400752-98-9 / 4-chloro-5-nitro-1H-pyrazole

Standard CAS: 400752-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400752-98-9
Multi CAS
No
Molecular Formula
C3H2CLN3O2
Molecular Weight
147.520000
Exact Mass
146.983554
InChI
InChI=1S/C3H2ClN3O2/c4-2-1-5-6-3(2)7(8)9/h1H,(H,5,6)
InChIKey
KXSYKRYVQOBQJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.25
TPSA
71.82

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-2.93

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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