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CAS 98027-52-2 1-Acetyl-4-iodo-1H-pyrazole molecular structure lightbox
CAS RN: 98027-52-2

1-Acetyl-4-iodo-1H-pyrazole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100g In stock Shanghai Inquiry
Batchno.20260604 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250713 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251104 500g Out of stock Inquiry
Batchno.20251231 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-212511
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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: 10g
  • Available purity: ＞97%
  • 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 98027-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

98027-52-2 / 1-(4-iodopyrazol-1-yl)ethanone

Standard CAS: 98027-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98027-52-2
Multi CAS
Yes
Molecular Formula
C5H5In2O
Molecular Weight
236.010000
Exact Mass
235.944660
InChI
InChI=1S/C5H5IN2O/c1-4(9)8-3-5(6)2-7-8/h2-3H,1H3
InChIKey
VQBDZJOQOOMNRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
41.24
TPSA
34.89

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.99
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.34

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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