CAS RN: 480439-48-3
PSS-(2-(TRANS-3 4-CYCLOHEXANEDIOL)ETHYL&
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS480439-48-3
- Purity/Analytical Methods: >99.0%
480439-48-3 / 4-[2-[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]icosan-1-yl]ethyl]cyclohexane-1,2-diol
Basic Information
CAS
480439-48-3
Multi CAS
Yes
Molecular Formula
C36H78O14Si8
Molecular Weight
959.700000
Exact Mass
958.354569
InChI
InChI=1S/C36H78O14Si8/c1-27(2)20-52-39-51(18-17-34-15-16-35(37)36(38)19-34)40-53(21-28(3)4)44-55(42-52,23-30(7)8)48-58(26-33(13)14)49-56(43-52,24-31(9)10)45-54(41-51,22-29(5)6)47-57(46-53,50-58)25-32(11)12/h27-38H,15-26H2,1-14H3
InChIKey
SPLVLZDHFGEUJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
14
H-bond donors
2
Molar refractivity
235.35
TPSA
151.22
LogP / Solubility
WLOGP
8.27
MLOGP
7.37
XLogP3
8.27
Consensus LogP
7.97
Log S (ESOL)
-9.88
Class (ESOL)
Insoluble
Log S (Ali)
-13.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.8
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)
-2.7
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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