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CAS 936940-82-8 CHEMBRDG-BB 4003862 molecular structure lightbox
CAS RN: 936940-82-8

CHEMBRDG-BB 4003862

  • Product code: SSC-208095
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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 936940-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

936940-82-8 / 1-(3-fluorophenyl)pyrazole-4-carbaldehyde

Standard CAS: 936940-82-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936940-82-8
Multi CAS
Yes
Molecular Formula
C10FH7N2O
Molecular Weight
190.170000
Exact Mass
190.054241
InChI
InChI=1S/C10H7FN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
FKZJADFSOBJBNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.91
TPSA
34.89

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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