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CAS 5676-81-3 N-(4-Fluorobenzylidene)aniline molecular structure lightbox
CAS RN: 5676-81-3

N-(4-Fluorobenzylidene)aniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-164793
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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: ≥98%
  • 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 5676-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

5676-81-3 / 1-(4-fluorophenyl)-N-phenylmethanimine

Standard CAS: 5676-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5676-81-3
Multi CAS
No
Molecular Formula
C13FH10N
Molecular Weight
199.220000
Exact Mass
199.079727
InChI
InChI=1S/C13H10FN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-10H
InChIKey
MPRONVWLCPZXOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.1
TPSA
12.36

LogP / Solubility

WLOGP
3.58
MLOGP
3.15
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.4

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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