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CAS 352538-79-5 PSS-TRIVINYLSILYLOXY-HEPTACYCLOPENTYL S& molecular structure lightbox
CAS RN: 352538-79-5

PSS-TRIVINYLSILYLOXY-HEPTACYCLOPENTYL S&

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS352538-79-5
  • Purity/Analytical Methods: >99.0%
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352538-79-5 / tris(ethenyl)-[(3,5,7,9,11,13,15-heptacyclopentyl-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)oxy]silane

Standard CAS: 352538-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352538-79-5
Multi CAS
No
Molecular Formula
C41H72O13Si9
Molecular Weight
1025.800000
Exact Mass
1024.289631
InChI
InChI=1S/C41H72O13Si9/c1-4-55(5-2,6-3)42-63-52-60(39-29-15-16-30-39)46-57(36-23-9-10-24-36)43-56(35-21-7-8-22-35)44-58(48-60,37-25-11-12-26-37)50-62(54-63,41-33-19-20-34-41)51-59(45-56,38-27-13-14-28-38)49-61(47-57,53-63)40-31-17-18-32-40/h4-6,35-41H,1-3,7-34H2
InChIKey
YXPZADQYIFWKNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
0.85
Rotatable bonds
12
H-bond acceptors
13
Molar refractivity
252.01
TPSA
119.99

LogP / Solubility

WLOGP
11.01
MLOGP
9.79
XLogP3
11.01
Consensus LogP
10.6
Log S (ESOL)
-12.34
Class (ESOL)
Insoluble
Log S (Ali)
-15.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.9
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)
-1.16

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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