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CAS 82882-56-2 Pyrimidine, 2-(1H-pyrazol-1-yl)- (9CI) molecular structure lightbox
CAS RN: 82882-56-2

Pyrimidine, 2-(1H-pyrazol-1-yl)- (9CI)

  • Product code: SSC-190898
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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 82882-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

82882-56-2 / 2-pyrazol-1-ylpyrimidine

Standard CAS: 82882-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82882-56-2
Multi CAS
No
Molecular Formula
C7H6N4
Molecular Weight
146.150000
Exact Mass
146.059246
InChI
InChI=1S/C7H6N4/c1-3-8-7(9-4-1)11-6-2-5-10-11/h1-6H
InChIKey
GDMBLTYGBYSZOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
39.15
TPSA
43.6

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

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