CAS RN: 36554-97-9
9H,9H-Triacontafluoro-8,10-heptadecanedione
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.20250727 | 10mg | In stock | Shanghai | Inquiry |
- Product code: ICTT2037
- Purity/Analytical Methods: >98.0%(GC)
36554-97-9 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadecane-8,10-dione
Basic Information
CAS
36554-97-9
Multi CAS
Yes
Molecular Formula
C17F30H2O2
Molecular Weight
808.150000
Exact Mass
807.957574
InChI
InChI=1S/C17H2F30O2/c18-4(19,6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)44)2(48)1-3(49)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)17(45,46)47/h1H2
InChIKey
ZXHJIRSEEIEAQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
86.11
TPSA
34.14
LogP / Solubility
WLOGP
9.26
MLOGP
8.22
XLogP3
10.1
Consensus LogP
9.19
Log S (ESOL)
-9.76
Class (ESOL)
Insoluble
Log S (Ali)
-12.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
