CAS RN: 969-25-5
4-Aminononafluorobiphenyl
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250512 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTA1346
- Purity/Analytical Methods: >96.0%(GC)
969-25-5 / 2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)aniline
Basic Information
CAS
969-25-5
Multi CAS
No
Molecular Formula
C12F9H2N
Molecular Weight
331.140000
Exact Mass
331.004353
InChI
InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2
InChIKey
DVKUPHGYOMHVDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.91
TPSA
26.02
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
3.8
Consensus LogP
3.9
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.77
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
