CAS RN: 423768-41-6
1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS423768-41-6
- Purity/Analytical Methods: >99.0%
423768-41-6 / 1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
Basic Information
CAS
423768-41-6
Multi CAS
No
Molecular Formula
C11FH9N2O
Molecular Weight
204.200000
Exact Mass
204.069891
InChI
InChI=1S/C11H9FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-7H,1H3
InChIKey
XFVNWAPZODECJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.65
TPSA
34.89
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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