CAS RN: 444315-18-8
PSS-VINYL-HEPTAISOBUTYL SUBSTITUTED
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS444315-18-8
- Purity/Analytical Methods: >99.0%
444315-18-8 / 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
Basic Information
CAS
444315-18-8
Multi CAS
No
Molecular Formula
C30H66O12Si8
Molecular Weight
843.500000
Exact Mass
842.270840
InChI
InChI=1S/C30H66O12Si8/c1-16-43-31-44(17-24(2)3)34-47(20-27(8)9)36-45(32-43,18-25(4)5)38-49(22-29(12)13)39-46(33-43,19-26(6)7)37-48(35-44,21-28(10)11)41-50(40-47,42-49)23-30(14)15/h16,24-30H,1,17-23H2,2-15H3
InChIKey
YJYPHYFVIQJBFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.93
Rotatable bonds
15
H-bond acceptors
12
Molar refractivity
206.76
TPSA
110.76
LogP / Solubility
WLOGP
8.08
MLOGP
7.19
XLogP3
8.08
Consensus LogP
7.78
Log S (ESOL)
-9.17
Class (ESOL)
Insoluble
Log S (Ali)
-12.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
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
10
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