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CAS 1437794-28-9 2-(Tetrahydro-pyran-2-yl)-5-trifluoroMethyl-2H-pyrazole-3-carbaldehyde molecular structure lightbox
CAS RN: 1437794-28-9

2-(Tetrahydro-pyran-2-yl)-5-trifluoroMethyl-2H-pyrazole-3-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS1437794-28-9
  • Purity/Analytical Methods: >99.0%
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1437794-28-9 / 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole-5-carbaldehyde

Standard CAS: 1437794-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1437794-28-9
Multi CAS
No
Molecular Formula
C10H11F3N2O2
Molecular Weight
248.200000
Exact Mass
248.077262
SMILES
C1CCOC(C1)N2C(=CC(=N2)C(F)(F)F)C=O
InChI
InChI=1S/C10H11F3N2O2/c11-10(12,13)8-5-7(6-16)15(14-8)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKey
PZQZOLLJNBPAHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.46
TPSA
44.12

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly 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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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