CAS RN: 852527-50-5
N-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)iodoacetamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260428 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS852527-50-5
- Purity/Analytical Methods: >99.0%
852527-50-5 / 2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
Basic Information
CAS
852527-50-5
Multi CAS
No
Molecular Formula
C11F13H9InO
Molecular Weight
545.080000
Exact Mass
544.952130
InChI
InChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27)
InChIKey
SAQMTNGZQLPXJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.92
TPSA
29.1
LogP / Solubility
WLOGP
5.06
MLOGP
4.49
XLogP3
5.4
Consensus LogP
4.98
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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