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CAS 81032-58-8 Bis[1,3-bis( 2-ethenyl)-1,1,3,3-tetramethyldisiloxane]platinum molecular structure lightbox
CAS RN: 81032-58-8

Bis[1,3-bis( 2-ethenyl)-1,1,3,3-tetramethyldisiloxane]platinum

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS81032-58-8
  • Purity/Analytical Methods: >99.0%
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81032-58-8 / methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(6-ethyl-1-benzofuran-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate

Standard CAS: 81032-58-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81032-58-8
Multi CAS
Yes
Molecular Formula
C222H249BRO54S4
Molecular Weight
3989.000000
Exact Mass
3987.487150
InChI
InChI=1S/C31H36O7.C29H30O7S.C29H32O7.C29H32O6S.C28H30O7.C26H31BrO6S.C26H30O7.C24H28O7S/c1-19(2)11-12-22-13-14-23-17-24(37-27(23)16-22)15-21(4)30(34)29-25(32)18-26(38-31(29)35)20(3)9-7-6-8-10-28(33)36-5;1-18-10-12-21(13-11-18)35-26-15-14-22(37-26)16-20(3)28(32)27-23(30)17-24(36-29(27)33)19(2)8-6-5-7-9-25(31)34-4;1-5-9-20-12-13-21-16-22(35-25(21)15-20)14-19(3)28(32)27-23(30)17-24(36-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-9-20-12-13-21-16-22(36-25(21)15-20)14-19(3)28(32)27-23(30)17-24(35-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-19-11-12-20-15-21(34-24(20)14-19)13-18(3)27(31)26-22(29)16-23(35-28(26)32)17(2)9-7-6-8-10-25(30)33-4;1-15(2)11-22-19(27)13-18(34-22)12-17(4)25(30)24-20(28)14-21(33-26(24)31)16(3)9-7-6-8-10-23(29)32-5;1-5-32-20-13-11-19(12-14-20)15-18(3)25(29)24-21(27)16-22(33-26(24)30)17(2)9-7-6-8-10-23(28)31-4;1-5-30-21-12-11-17(32-21)13-16(3)23(27)22-18(25)14-19(31-24(22)28)15(2)9-7-6-8-10-20(26)29-4/h6,8,13-20,32H,7,9-12H2,1-5H3;5,7,10-17,19,30H,6,8-9H2,1-4H3;2*6,8,12-18,30H,5,7,9-11H2,1-4H3;6,8,11-17,29H,5,7,9-10H2,1-4H3;6,8,12-16,28H,7,9-11H2,1-5H3;6,8,11-17,27H,5,7,9-10H2,1-4H3;6,8,11-15,25H,5,7,9-10H2,1-4H3
InChIKey
GFZFQFBKZJZQHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
281
Aromatic heavy atom count
111
Fraction Csp3
0.35
Rotatable bonds
88
H-bond acceptors
58
H-bond donors
8
Molar refractivity
1094.6
TPSA
817.59

LogP / Solubility

WLOGP
49.63
MLOGP
44.13
XLogP3
49.63
Consensus LogP
47.8
Log S (ESOL)
-50.33
Class (ESOL)
Insoluble
Log S (Ali)
-68.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-77.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
8.18

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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