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CAS 2965-07-3 3,4-Bis-trifluoromethyl-phenylamine molecular structure lightbox
CAS RN: 2965-07-3

3,4-Bis-trifluoromethyl-phenylamine

  • Product code: SSC-132686
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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 2965-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2965-07-3 / 3,4-bis(trifluoromethyl)aniline

Standard CAS: 2965-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2965-07-3
Multi CAS
No
Molecular Formula
C8F6H5N
Molecular Weight
229.120000
Exact Mass
229.032618
InChI
InChI=1S/C8H5F6N/c9-7(10,11)5-2-1-4(15)3-6(5)8(12,13)14/h1-3H,15H2
InChIKey
PSDVFXQQNBDDJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.86
TPSA
26.02

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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