![CAS 253271-87-3 Pyrene, 1-[2-(trimethylsilyl)ethynyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/253271-87-3.gif)
CAS RN: 253271-87-3
Pyrene, 1-[2-(trimethylsilyl)ethynyl]-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250214 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250723 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250114 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS253271-87-3
- Purity/Analytical Methods: >99.0%
253271-87-3 / trimethyl(2-pyren-1-ylethynyl)silane
Basic Information
CAS
253271-87-3
Multi CAS
No
Molecular Formula
C21H18Si
Molecular Weight
298.500000
Exact Mass
298.117777
SMILES
C[Si](C)(C)C#CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C21H18Si/c1-22(2,3)14-13-15-7-8-18-10-9-16-5-4-6-17-11-12-19(15)21(18)20(16)17/h4-12H,1-3H3
InChIKey
SKFFHUMDLPRRLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
2
Molar refractivity
100.37
TPSA
0.0000
LogP / Solubility
WLOGP
5.81
MLOGP
5.13
XLogP3
5.81
Consensus LogP
5.58
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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