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CAS 854538-94-6 2-aMino-3-fluorobenzaldehyde molecular structure lightbox
CAS RN: 854538-94-6

2-aMino-3-fluorobenzaldehyde

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250423 1g In stock Inquiry
Batchno.20250409 250mg In stock Inquiry
Batchno.20260602 50mg In stock Inquiry
Batchno.20260621 5g In stock Inquiry
  • Product code: SSC-193844
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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 854538-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

854538-94-6 / 2-amino-3-fluorobenzaldehyde

Standard CAS: 854538-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854538-94-6
Multi CAS
No
Molecular Formula
C7FH6NO
Molecular Weight
139.130000
Exact Mass
139.043342
InChI
InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKey
PZBQRNQMWORUND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.2
TPSA
43.09

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.4
Consensus LogP
1.23
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.7

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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