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CAS 28791-95-9 1-(1-Ethoxyethyl)-1H-pyrazole molecular structure lightbox
CAS RN: 28791-95-9

1-(1-Ethoxyethyl)-1H-pyrazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-130491
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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 28791-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

28791-95-9 / 1-(1-ethoxyethyl)pyrazole

Standard CAS: 28791-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28791-95-9
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
InChI
InChI=1S/C7H12N2O/c1-3-10-7(2)9-6-4-5-8-9/h4-7H,3H2,1-2H3
InChIKey
ARLWQCUNWFXONO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
38.56
TPSA
27.05

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.55

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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