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CAS 850221-63-5 SiMCP , 9,9′-(5-(triphenylsilyl)-1,3-phenylene)bis(9H-carba molecular structure lightbox
CAS RN: 850221-63-5

SiMCP , 9,9′-(5-(triphenylsilyl)-1,3-phenylene)bis(9H-carba

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250515 100mg In stock Shanghai Inquiry
Batchno.20260222 100mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250829 1g In stock Shanghai Inquiry
Batchno.20260430 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS850221-63-5
  • Purity/Analytical Methods: >99.0%
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850221-63-5 / [3,5-di(carbazol-9-yl)phenyl]-triphenylsilane

Standard CAS: 850221-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850221-63-5
Multi CAS
No
Molecular Formula
C48H34N2Si
Molecular Weight
666.900000
Exact Mass
666.249126
InChI
InChI=1S/C48H34N2Si/c1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-33-35(49-45-28-14-10-24-41(45)42-25-11-15-29-46(42)49)32-36(34-40)50-47-30-16-12-26-43(47)44-27-13-17-31-48(44)50/h1-34H
InChIKey
GWFGARXUJNKOMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
50
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
218.74
TPSA
9.86

LogP / Solubility

WLOGP
9.26
MLOGP
8.2
XLogP3
9.26
Consensus LogP
8.91
Log S (ESOL)
-10.14
Class (ESOL)
Insoluble
Log S (Ali)
-11.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.4
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)
-0.21

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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