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CAS 459-40-5 N-(2-fluoroethyl)aniline molecular structure lightbox
CAS RN: 459-40-5

N-(2-fluoroethyl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-153499
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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: ＞97%
  • 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 459-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

459-40-5 / N-(2-fluoroethyl)aniline

Standard CAS: 459-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
459-40-5
Multi CAS
No
Molecular Formula
C8FH10N
Molecular Weight
139.170000
Exact Mass
139.079727
InChI
InChI=1S/C8H10FN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
FTPHSZHORWIRPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.91
TPSA
12.03

LogP / Solubility

WLOGP
2.07
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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