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CAS 4344-87-0 3-Methyl-3-pyrazolin-5-one molecular structure lightbox
CAS RN: 4344-87-0

3-Methyl-3-pyrazolin-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-151671
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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: 500g
  • 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 4344-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Beijing Inquiry

4344-87-0 / 3-methyl-1,4-dihydropyrazol-5-one

Standard CAS: 4344-87-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4344-87-0
Multi CAS
Yes
Molecular Formula
C4H6N2O
Molecular Weight
98.100000
Exact Mass
98.048013
InChI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
InChIKey
WGVHNCAJPFIFCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.87
TPSA
41.46

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.12
XLogP3
-0.5
Consensus LogP
-0.25
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very 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)
-3.4

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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