CAS RN: 129498-18-6
1,3-BIS(HEPTADECAFLUORO-1,1,2,2-TETRAHYDRODECYL)TETRAMETHYLDISILOXANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251015 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS129498-18-6
- Purity/Analytical Methods: >99.0%
129498-18-6 / 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethyl)silyl]oxy-dimethylsilane
Basic Information
CAS
129498-18-6
Multi CAS
No
Molecular Formula
C24H20F34OSi2
Molecular Weight
1026.500000
Exact Mass
1026.050976
SMILES
C[Si](C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O[Si](C)(C)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H20F34OSi2/c1-60(2,7-5-9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)59-61(3,4)8-6-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h5-8H2,1-4H3
InChIKey
GVARJIFTROXOCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
1
Molar refractivity
136.26
TPSA
9.23
LogP / Solubility
WLOGP
14.21
MLOGP
12.61
XLogP3
14.21
Consensus LogP
13.68
Log S (ESOL)
-13.84
Class (ESOL)
Insoluble
Log S (Ali)
-18.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.53
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)
1.11
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
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