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CAS 307531-90-4 1 3 5 7 9 11-OCTAISOBUTYLTETRACYCLO molecular structure lightbox
CAS RN: 307531-90-4

1 3 5 7 9 11-OCTAISOBUTYLTETRACYCLO

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS307531-90-4
  • Purity/Analytical Methods: >99.0%
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307531-90-4 / 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane

Standard CAS: 307531-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307531-90-4
Multi CAS
No
Molecular Formula
C32H74O13Si8
Molecular Weight
891.600000
Exact Mass
890.328355
InChI
InChI=1S/C32H74O13Si8/c1-25(2)17-46(33)35-48(19-27(5)6)39-50(21-29(9)10)37-47(34,18-26(3)4)38-51(22-30(11)12)40-49(36-46,20-28(7)8)42-52(41-48,23-31(13)14)45-53(43-50,44-51)24-32(15)16/h25-34H,17-24H2,1-16H3
InChIKey
ZJILJEYGMBWQKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
13
H-bond donors
2
Molar refractivity
219.56
TPSA
141.99

LogP / Solubility

WLOGP
7.97
MLOGP
7.09
XLogP3
7.97
Consensus LogP
7.68
Log S (ESOL)
-9.33
Class (ESOL)
Insoluble
Log S (Ali)
-12.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.99
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)
-2.5

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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