CAS RN: 94525-05-0
1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene
- Product code: SSC-209581
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: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
94525-05-0 / 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
Basic Information
CAS
94525-05-0
Multi CAS
No
Molecular Formula
C20F6H14N2O2
Molecular Weight
428.300000
Exact Mass
428.095947
InChI
InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
InChIKey
LACZRKUWKHQVKS-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
![CAS 30203-11-3 Bis[4-(3-aminophenoxy)phenyl] Sulfone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1681-jpgcontextbwfzdgvyfhjvb3r8mjg1ndz8aw1hz2uvanblz3xozdqvadhhlzg5mjg3ndm2ntm0mdyvqje2odeuanbnfde2ndyxmdjjnziwowiwyjm3zjy5mjg4m2y4mtayy2y4ote2otzmytvhndzhmgiwymuyymjhywfmmzrlmtvkzdq.jpeg)
