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CAS 1186663-52-4 3-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde molecular structure lightbox
CAS RN: 1186663-52-4

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

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250506 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260625 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250720 5g Out of stock Inquiry
  • Product code: SSC-018585
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186663-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Shanghai Inquiry
1g >97% 4 In Stock Shanghai Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

1186663-52-4 / 3-chloro-4-pyrazol-1-ylbenzaldehyde

3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE | 3-Chloro-4-(1-pyrazolyl)benzaldehyde | 3-chloro-4-pyrazol-1-ylbenzaldehyde

Standard CAS: 1186663-52-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-52-4
Multi CAS
Yes
Molecular Formula
C10H7ClN2O
Molecular Weight
206.630000
Exact Mass
206.024691
SMILES
C1=CN(N=C1)C2=C(C=C(C=C2)C=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-6-8(7-14)2-3-10(9)13-5-1-4-12-13/h1-7H
InChIKey
NEGUYXDHYGIYGW-UHFFFAOYSA-N
Synonyms
3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE 3-Chloro-4-(1-pyrazolyl)benzaldehyde 3-chloro-4-pyrazol-1-ylbenzaldehyde MFCD11656795 DTXSID20693897

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

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