CAS RN: 618101-81-8
1-(4-BROMOPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS618101-81-8
- Purity/Analytical Methods: >99.0%
618101-81-8 / 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
Basic Information
CAS
618101-81-8
Multi CAS
No
Molecular Formula
BC16H10N2ORf
Molecular Weight
345.160000
Exact Mass
343.996050
InChI
InChI=1S/C16H10BrFN2O/c17-13-3-7-15(8-4-13)20-9-12(10-21)16(19-20)11-1-5-14(18)6-2-11/h1-10H
InChIKey
PSXBTLMZSMAFHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
82.05
TPSA
34.89
LogP / Solubility
WLOGP
4.25
MLOGP
3.76
XLogP3
3.8
Consensus LogP
3.94
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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