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CAS 36210-76-1 2-Cyclohexyl-5-Methyl-2,4-dihydro-pyrazol-3-one molecular structure lightbox
CAS RN: 36210-76-1

2-Cyclohexyl-5-Methyl-2,4-dihydro-pyrazol-3-one

  • Product code: SSC-143374
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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 36210-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

36210-76-1 / 2-cyclohexyl-5-methyl-4H-pyrazol-3-one

Standard CAS: 36210-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36210-76-1
Multi CAS
Yes
Molecular Formula
C10H16N2O
Molecular Weight
180.250000
Exact Mass
180.126263
InChI
InChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKey
CLCIJTSYLYHCAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.45
TPSA
32.67

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.45

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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