CAS RN: 1174064-63-1
4-(4-Bromo-1H-pyrazol-1-yl)benzaldehyde
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.20260105 | 50mg / 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-017279
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1174064-63-1 / 4-(4-bromopyrazol-1-yl)benzaldehyde
4-(4-bromo-1H-pyrazol-1-yl)benzaldehyde | 4-(4-Bromopyrazol-1-yl)benzaldehyde | MFCD12756238
Basic Information
CAS
1174064-63-1
Multi CAS
No
Molecular Formula
C10H7BrN2O
Molecular Weight
251.080000
Exact Mass
249.974180
SMILES
C1=CC(=CC=C1C=O)N2C=C(C=N2)Br
InChI
InChI=1S/C10H7BrN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H
InChIKey
WRORMQDKQSKVFB-UHFFFAOYSA-N
Synonyms
4-(4-bromo-1H-pyrazol-1-yl)benzaldehyde
4-(4-Bromopyrazol-1-yl)benzaldehyde
MFCD12756238
Benzaldehyde, 4-(4-bromo-1H-pyrazol-1-yl)-
SCHEMBL15329666
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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