CAS RN: 36640-41-2
3-(4-BROMO-PHENYL)-1-PHENYL-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.20250118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36640-41-2
- Purity/Analytical Methods: >99.0%
36640-41-2 / 3-(4-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
Basic Information
CAS
36640-41-2
Multi CAS
Yes
Molecular Formula
BC16H11ORn2
Molecular Weight
327.170000
Exact Mass
326.005480
InChI
InChI=1S/C16H11BrN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-11H
InChIKey
YPXNXBBOBLTDCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
82.09
TPSA
34.89
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
3.7
Consensus LogP
3.82
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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)
-1.79
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
1.5
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