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CAS 22614-72-8 7-Chloro-2-hydroxyquinoline molecular structure lightbox
CAS RN: 22614-72-8

7-Chloro-2-hydroxyquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
  • Product code: SSC-110539
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 22614-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

22614-72-8 / 4-(2-chloroacetyl)benzonitrile

Standard CAS: 22614-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22614-72-8
Multi CAS
No
Molecular Formula
C9H6ClNO
Molecular Weight
179.600000
Exact Mass
179.013792
SMILES
C1=CC(=CC=C1C#N)C(=O)CCl
InChI
InChI=1S/C9H6ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
InChIKey
SDRJFDTZVULXDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.21
TPSA
40.86

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.8
Consensus LogP
1.84
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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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