![CAS 478190-79-3 1,4-Dibromo-2,5-bis[2-(trimethylsilyl)ethynyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5316-jpgcontextbwfzdgvyfhjvb3r8mzkzmtb8aw1hz2uvanblz3xom2ivagzjlzg5mzaznjcxnzy3mzqvrduzmtyuanbnfdcxmda5ngqyyjayzwmzyzjhndy1n2y4ognkyzexmguxnjaxmtc1ntrkymfiymvmy2q1yjmzmjnjmme2mzdlnme.jpeg)
CAS RN: 478190-79-3
1,4-Dibromo-2,5-bis[2-(trimethylsilyl)ethynyl]benzene
- Product code: SSC-154780
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
478190-79-3 / 2-[2,5-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
Basic Information
CAS
478190-79-3
Multi CAS
No
Molecular Formula
C16H20BR2SI2
Molecular Weight
428.300000
Exact Mass
427.944980
InChI
InChI=1S/C16H20Br2Si2/c1-19(2,3)9-7-13-11-16(18)14(12-15(13)17)8-10-20(4,5)6/h11-12H,1-6H3
InChIKey
TUMMIWKEWMEYTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
Molar refractivity
102.29
TPSA
0.0000
LogP / Solubility
WLOGP
5.67
MLOGP
5.02
XLogP3
5.67
Consensus LogP
5.45
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31
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
1.5
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- CAS RN: 81290-20-2
- Product Code: SSC-189802
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![CAS 81290-20-2 (Trifluoromethyl)trimethylsilane [Trifluoromethylating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1570-jpgcontextbwfzdgvyfhjvb3r8mzq0nzb8aw1hz2uvanblz3xon2uvady2lzg5mzi0odqzodi3ntavvde1nzauanbnfdy5yze1n2izzwzlnzq4nwu3mda0zgnlyjqymju4mdnknjy5zgmxmge1m2y0nwmxmjhlymexyzi5ymfhodhkmmu.jpeg)
