[email protected]
CAS 1186663-54-6 2-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde molecular structure lightbox
CAS RN: 1186663-54-6

2-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg Out of stock Inquiry
Batchno.20250812 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251129 1g Out of stock Inquiry
Batchno.20260414 250mg Out of stock Inquiry
  • Product code: SSC-018587
GET A QUOTE
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: 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186663-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1186663-54-6 / 2-chloro-4-pyrazol-1-ylbenzaldehyde

2-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE | MFCD11656800 | 2-chloro-4-pyrazol-1-ylbenzaldehyde

Standard CAS: 1186663-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-54-6
Multi CAS
Yes
Molecular Formula
C10H7ClN2O
Molecular Weight
206.630000
Exact Mass
206.024691
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)C=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-10-6-9(3-2-8(10)7-14)13-5-1-4-12-13/h1-7H
InChIKey
SLALOCOMXZNERI-UHFFFAOYSA-N
Synonyms
2-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE MFCD11656800 2-chloro-4-pyrazol-1-ylbenzaldehyde 2-Chloro-4-(1-pyrazolyl)benzaldehyde SCHEMBL23667579

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.96
TPSA
34.89

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us