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CAS 394-96-7 5-Chloro-3-fluorosalicylaldehyde molecular structure lightbox
CAS RN: 394-96-7

5-Chloro-3-fluorosalicylaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-147075
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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 394-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

394-96-7 / 5-chloro-3-fluoro-2-hydroxybenzaldehyde

Standard CAS: 394-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
394-96-7
Multi CAS
No
Molecular Formula
C7H4CLFO2
Molecular Weight
174.550000
Exact Mass
173.988385
InChI
InChI=1S/C7H4ClFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
JTMDXYDKAJYWAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.46
TPSA
37.3

LogP / Solubility

WLOGP
2
MLOGP
1.75
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.37

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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