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CAS 1041186-22-4 R-3,3′-Bis(triphenylsilyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol molecular structure lightbox
CAS RN: 1041186-22-4

R-3,3′-Bis(triphenylsilyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251123 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250704 100mg In stock Shanghai Inquiry
Batchno.20260520 1g In stock Shanghai Inquiry
Batchno.20250912 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1041186-22-4
  • Purity/Analytical Methods: >99.0%
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1041186-22-4 / 1-(2-hydroxy-3-triphenylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-triphenylsilyl-5,6,7,8-tetrahydronaphthalen-2-ol

(R)-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol | R-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol | (R)-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol, 98% (99% ee)

Standard CAS: 1041186-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1041186-22-4
Multi CAS
No
Molecular Formula
C56H50O2Si2
Molecular Weight
811.200000
Exact Mass
810.334934
SMILES
C1CCC2=C(C(=C(C=C2C1)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)C6=C7CCCCC7=CC(=C6O)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C56H50O2Si2/c57-55-51(59(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)58)60(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-18,25-36,39-40,57-58H,19-24,37-38H2
InChIKey
UKSXPYRMNPFQAG-UHFFFAOYSA-N
Synonyms
(R)-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol R-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol (R)-3,3'-Bis(triphenylsilyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol, 98% (99% ee) MFCD31560047 SCHEMBL22229653

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
48
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
255.72
TPSA
40.46

LogP / Solubility

WLOGP
7.28
MLOGP
6.48
XLogP3
7.28
Consensus LogP
7.01
Log S (ESOL)
-9.45
Class (ESOL)
Insoluble
Log S (Ali)
-11.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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