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CAS 934708-86-8 1,3,5-Tris(4-aMino-2-(trifluoroMethyl)phenoxy)benzene molecular structure lightbox
CAS RN: 934708-86-8

1,3,5-Tris(4-aMino-2-(trifluoroMethyl)phenoxy)benzene

  • Product code: SSC-207725
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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 934708-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

934708-86-8 / 4-[3,5-bis[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline

Standard CAS: 934708-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
934708-86-8
Multi CAS
No
Molecular Formula
C27F9H18N3O3
Molecular Weight
603.400000
Exact Mass
603.120445
InChI
InChI=1S/C27H18F9N3O3/c28-25(29,30)19-7-13(37)1-4-22(19)40-16-10-17(41-23-5-2-14(38)8-20(23)26(31,32)33)12-18(11-16)42-24-6-3-15(39)9-21(24)27(34,35)36/h1-12H,37-39H2
InChIKey
IHZUMPNXUUHJNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
134.23
TPSA
105.75

LogP / Solubility

WLOGP
8.87
MLOGP
7.85
XLogP3
7.1
Consensus LogP
7.94
Log S (ESOL)
-9.19
Class (ESOL)
Insoluble
Log S (Ali)
-10.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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