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CAS 1169394-26-6 3-Chloroquinoline-2-carbaldehyde molecular structure lightbox
CAS RN: 1169394-26-6

3-Chloroquinoline-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016756
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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: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • 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 1169394-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1169394-26-6 / 3-chloroquinoline-2-carbaldehyde

3-chloroquinoline-2-carbaldehyde | MFCD24685673 | 2-Quinolinecarboxaldehyde, 3-chloro-

Standard CAS: 1169394-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1169394-26-6
Multi CAS
No
Molecular Formula
C10H6ClNO
Molecular Weight
191.610000
Exact Mass
191.013792
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C=O)Cl
InChI
InChI=1S/C10H6ClNO/c11-8-5-7-3-1-2-4-9(7)12-10(8)6-13/h1-6H
InChIKey
VCQLLYQRRZEZSL-UHFFFAOYSA-N
Synonyms
3-chloroquinoline-2-carbaldehyde MFCD24685673 2-Quinolinecarboxaldehyde, 3-chloro- chloroquinoline aldehyde chloroquinolinecarboxaldehyde

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.14
TPSA
29.96

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

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

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