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CAS 921212-81-9 3-methyl-2-propan-2-yl-1H-pyrazol-5-one molecular structure lightbox
CAS RN: 921212-81-9

3-methyl-2-propan-2-yl-1H-pyrazol-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-205699
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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 921212-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

921212-81-9 / 3-methyl-2-propan-2-yl-1H-pyrazol-5-one

Standard CAS: 921212-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
921212-81-9
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
InChI
InChI=1S/C7H12N2O/c1-5(2)9-6(3)4-7(10)8-9/h4-5H,1-3H3,(H,8,10)
InChIKey
LFADYVQUJRLDDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.17
TPSA
37.79

LogP / Solubility

WLOGP
1.07
MLOGP
0.93
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.82

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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