CAS RN: 299176-62-8
3,5-BIS(TRIFLUOROMETHYL)PHENYL DIPHENYLPHOSPHINE OXIDE
- Product code: SSC-133284
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
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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
299176-62-8 / 1-diphenylphosphoryl-3,5-bis(trifluoromethyl)benzene
Basic Information
CAS
299176-62-8
Multi CAS
No
Molecular Formula
C20F6H13OP
Molecular Weight
414.300000
Exact Mass
414.060821
InChI
InChI=1S/C20H13F6OP/c21-19(22,23)14-11-15(20(24,25)26)13-18(12-14)28(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H
InChIKey
OLLUAZWXLAKWNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
95.84
TPSA
17.07
LogP / Solubility
WLOGP
5.36
MLOGP
4.75
XLogP3
5.8
Consensus LogP
5.3
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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