CAS RN: 350997-68-1
3-(4-BROMO-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.20260311 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS350997-68-1
- Purity/Analytical Methods: >99.0%
350997-68-1 / 5-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde
Basic Information
CAS
350997-68-1
Multi CAS
Yes
Molecular Formula
BC10H7ORn2
Molecular Weight
251.080000
Exact Mass
249.974180
InChI
InChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
TZBVFXKYORIJSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.11
TPSA
45.75
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2
Consensus LogP
2.33
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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