CAS RN: 294877-41-1
1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
- Product code: SSC-132385
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
294877-41-1 / 1-(4-bromophenyl)pyrazole-4-carbaldehyde
Basic Information
CAS
294877-41-1
Multi CAS
No
Molecular Formula
BC10H7ORn2
Molecular Weight
251.080000
Exact Mass
249.974180
InChI
InChI=1S/C10H7BrN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
CSVXEJDVTQWKNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.65
TPSA
34.89
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.51
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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