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CAS 49658-26-6 4-(DifluoroMethyl)aniline molecular structure lightbox
CAS RN: 49658-26-6

4-(DifluoroMethyl)aniline

  • Product code: SSC-155879
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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: 5g
  • 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 49658-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

49658-26-6 / 4-(difluoromethyl)aniline

Standard CAS: 49658-26-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49658-26-6
Multi CAS
Yes
Molecular Formula
C7F2H7N
Molecular Weight
143.130000
Exact Mass
143.054656
InChI
InChI=1S/C7H7F2N/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H,10H2
InChIKey
FRVATKJLVXRQHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.81
TPSA
26.02

LogP / Solubility

WLOGP
2.21
MLOGP
1.93
XLogP3
1.6
Consensus LogP
1.91
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.03

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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