![CAS 344-48-9 4,4′-Oxybis[3-(trifluoromethyl)aniline] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/o0542-jpgcontextbwfzdgvyfhjvb3r8mtcynjj8aw1hz2uvanblz3xoyzqvadezlzkxmdg3ntc3nzqznjyvtza1ndiuanbnfgvmmju4zwq1mmi4mwy3zddkntdmnzywowi2ytmzzti5owezztcxmjrjnmqzy2fjmmi2ndrmmjnlymy4njeyzty.jpeg)
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
344-48-9 / 3-[3-amino-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)aniline
Basic Information
CAS
344-48-9
Multi CAS
Yes
Molecular Formula
C14F6H10N2O
Molecular Weight
336.230000
Exact Mass
336.069732
InChI
InChI=1S/C14H10F6N2O/c15-13(16,17)7-1-9(21)5-11(3-7)23-12-4-8(14(18,19)20)2-10(22)6-12/h1-6H,21-22H2
InChIKey
MJNXYRHZDBJIHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.79
TPSA
61.27
LogP / Solubility
WLOGP
4.68
MLOGP
4.14
XLogP3
3.9
Consensus LogP
4.24
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
