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CAS 169900-32-7 (5R)-ethyl 5-((1R,3aS,7aR)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethyl)-7a-Methyloctahydro-1H-inden-1-yl)hexanoate molecular structure lightbox
CAS RN: 169900-32-7

(5R)-ethyl 5-((1R,3aS,7aR)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethyl)-7a-Methyloctahydro-1H-inden-1-yl)hexanoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS169900-32-7
  • Purity/Analytical Methods: >99.0%
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169900-32-7 / ethyl (5R)-5-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanoate

Standard CAS: 169900-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169900-32-7
Multi CAS
No
Molecular Formula
C39H70O4Si2
Molecular Weight
659.100000
Exact Mass
658.481264
SMILES
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C39H70O4Si2/c1-15-41-36(40)20-16-18-28(2)33-23-24-34-30(19-17-25-39(33,34)10)21-22-31-26-32(42-44(11,12)37(4,5)6)27-35(29(31)3)43-45(13,14)38(7,8)9/h21-22,28,32-35H,3,15-20,23-27H2,1-2,4-14H3/b30-21+,31-22+/t28-,32-,33-,34+,35+,39-/m1/s1
InChIKey
GDQYJABERVWRRO-WSNYFFJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.82
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
196.5
TPSA
44.76

LogP / Solubility

WLOGP
11.56
MLOGP
10.22
XLogP3
11.56
Consensus LogP
11.11
Log S (ESOL)
-10.48
Class (ESOL)
Insoluble
Log S (Ali)
-13.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.46

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
7

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