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CAS 18750-95-3 9,10-BIS(TRIMETHYLSILANYLETHYNYL)ANTHRACENE molecular structure lightbox
CAS RN: 18750-95-3

9,10-BIS(TRIMETHYLSILANYLETHYNYL)ANTHRACENE

Product Availability

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS18750-95-3
  • Purity/Analytical Methods: >99.0%
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18750-95-3 / trimethyl-[2-[10-(2-trimethylsilylethynyl)anthracen-9-yl]ethynyl]silane

Standard CAS: 18750-95-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18750-95-3
Multi CAS
No
Molecular Formula
C24H26Si2
Molecular Weight
370.600000
Exact Mass
370.157304
SMILES
C[Si](C)(C)C#CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C#C[Si](C)(C)C
InChI
InChI=1S/C24H26Si2/c1-25(2,3)17-15-23-19-11-7-9-13-21(19)24(16-18-26(4,5)6)22-14-10-8-12-20(22)23/h7-14H,1-6H3
InChIKey
XJMULQBEYKPFGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
14
Fraction Csp3
0.25
Rotatable bonds
4
Molar refractivity
121.9
TPSA
0.0000

LogP / Solubility

WLOGP
6.45
MLOGP
5.7
XLogP3
6.45
Consensus LogP
6.2
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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