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CAS 18030-61-0 p-Trichlorosilylbiphenyl molecular structure lightbox
CAS RN: 18030-61-0

p-Trichlorosilylbiphenyl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS18030-61-0
  • Purity/Analytical Methods: >99.0%
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18030-61-0 / trichloro-(4-phenylphenyl)silane

Standard CAS: 18030-61-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18030-61-0
Multi CAS
No
Molecular Formula
C12H9Cl3Si
Molecular Weight
287.600000
Exact Mass
285.953910
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)[Si](Cl)(Cl)Cl
InChI
InChI=1S/C12H9Cl3Si/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
DHCRMIWRXITVBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
74.83
TPSA
0.0000

LogP / Solubility

WLOGP
4.22
MLOGP
3.72
XLogP3
4.22
Consensus LogP
4.05
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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