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CAS 302325-34-4 Benzenamine, 4,4′-[1,3-phenylenebis(oxy)]bis[3-(trifluoromethyl)- molecular structure lightbox
CAS RN: 302325-34-4

Benzenamine, 4,4′-[1,3-phenylenebis(oxy)]bis[3-(trifluoromethyl)-

  • Product code: SSC-133984
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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 302325-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

302325-34-4 / 4-[3-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline

Standard CAS: 302325-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302325-34-4
Multi CAS
No
Molecular Formula
C20F6H14N2O2
Molecular Weight
428.300000
Exact Mass
428.095947
InChI
InChI=1S/C20H14F6N2O2/c21-19(22,23)15-8-11(27)4-6-17(15)29-13-2-1-3-14(10-13)30-18-7-5-12(28)9-16(18)20(24,25)26/h1-10H,27-28H2
InChIKey
PGGDRKNQBAILPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.3
TPSA
70.5

LogP / Solubility

WLOGP
6.47
MLOGP
5.72
XLogP3
5.4
Consensus LogP
5.86
Log S (ESOL)
-6.75
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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