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CAS 307531-92-6 1 3 5 7 9 11 14-HEPTAISOBUTYLTRICYCLO molecular structure lightbox
CAS RN: 307531-92-6

1 3 5 7 9 11 14-HEPTAISOBUTYLTRICYCLO

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS307531-92-6
  • Purity/Analytical Methods: >99.0%
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307531-92-6 / 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis(2-methylpropyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

Standard CAS: 307531-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307531-92-6
Multi CAS
No
Molecular Formula
C28H66O12Si7
Molecular Weight
791.400000
Exact Mass
790.293913
InChI
InChI=1S/C28H66O12Si7/c1-22(2)15-41(29)32-44(18-25(7)8)34-42(30,16-23(3)4)36-46(20-27(11)12)37-43(31,17-24(5)6)35-45(33-41,19-26(9)10)39-47(38-44,40-46)21-28(13)14/h22-31H,15-21H2,1-14H3
InChIKey
APIBTMSFBUJAAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
3
Molar refractivity
194.21
TPSA
143.76

LogP / Solubility

WLOGP
6.32
MLOGP
5.63
XLogP3
6.32
Consensus LogP
6.09
Log S (ESOL)
-7.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06

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
8

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