CAS RN: 932710-56-0
PFBOA-N-VALERALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS932710-56-0
- Purity/Analytical Methods: >99.0%
932710-56-0 / N-[(2,3,4,5,6-pentafluorophenyl)methoxy]pentan-1-imine
Basic Information
CAS
932710-56-0
Multi CAS
Yes
Molecular Formula
C12F5H12NO
Molecular Weight
281.220000
Exact Mass
281.083905
InChI
InChI=1S/C12H12F5NO/c1-2-3-4-5-18-19-6-7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4,6H2,1H3/b18-5+
InChIKey
CQVUQQBKUBLHIZ-BLLMUTORSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
59.04
TPSA
21.59
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
3.7
Consensus LogP
3.79
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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