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CAS 1141669-45-5 2-Chloro-4-(1H-imidazol-1-yl)benzaldehyde molecular structure lightbox
CAS RN: 1141669-45-5

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014031
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1141669-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1141669-45-5 / 2-chloro-4-imidazol-1-ylbenzaldehyde

2-Chloro-4-(1-imidazolyl)benzaldehyde | 2-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE | MFCD11656799

Standard CAS: 1141669-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-45-5
Multi CAS
No
Molecular Formula
C10H7ClN2O
Molecular Weight
206.630000
Exact Mass
206.024691
SMILES
C1=CC(=C(C=C1N2C=CN=C2)Cl)C=O
InChI
InChI=1S/C10H7ClN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
InChIKey
BUUCGRMFXGLDNV-UHFFFAOYSA-N
Synonyms
2-Chloro-4-(1-imidazolyl)benzaldehyde 2-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE MFCD11656799 2-chloro-4-imidazol-1-ylbenzaldehyde Benzaldehyde, 2-chloro-4-(1H-imidazol-1-yl)-

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
1.8
Consensus LogP
2.07
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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