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CAS 6628-22-4 3,4-DIMETHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE molecular structure lightbox
CAS RN: 6628-22-4

3,4-DIMETHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE

  • Product code: SSC-175916
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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 6628-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

6628-22-4 / 3,4-dimethyl-1,4-dihydropyrazol-5-one

Standard CAS: 6628-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6628-22-4
Multi CAS
Yes
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
InChI
InChI=1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h3H,1-2H3,(H,7,8)
InChIKey
PRCIXKQBKWRGMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.42
TPSA
41.46

LogP / Solubility

WLOGP
0.13
MLOGP
0.1
XLogP3
0.1
Consensus LogP
0.11
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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