![CAS 78900-02-4 Trichloro[3-(pentafluorophenyl)propyl]silane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3030-jpgcontextbwfzdgvyfhjvb3r8mzazmtn8aw1hz2uvanblz3xoyjgvagrklzg5mzi2nty1ndu4mjivvdmwmzauanbnfdm0nwiwntrjyzuzote1ngq1nmywm2jim2zhymi1nwrjm2i0mmuxmgvimdg4nzm4nzq1zwm5nmmwndu5mdhmnde.jpeg)
CAS RN: 78900-02-4
Trichloro[3-(pentafluorophenyl)propyl]silane
- Product code: SSC-188165
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: ＞95%
- 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 | ＞95% | 0 Out of Stock | Beijing | Inquiry |
78900-02-4 / trichloro-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
Basic Information
CAS
78900-02-4
Multi CAS
Yes
Molecular Formula
C9H6CL3F5SI
Molecular Weight
343.600000
Exact Mass
341.922451
InChI
InChI=1S/C9H6Cl3F5Si/c10-18(11,12)3-1-2-4-5(13)7(15)9(17)8(16)6(4)14/h1-3H2
InChIKey
PGOAAUBOHVGLCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
62.67
TPSA
0.0000
LogP / Solubility
WLOGP
4.97
MLOGP
4.39
XLogP3
4.97
Consensus LogP
4.78
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
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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![CAS 157499-19-9 Chlorodimethyl[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2700-jpgcontextbwfzdgvyfhjvb3r8mze4nzj8aw1hz2uvanblz3xomwqvagzhlzg5mjk1nzq5nzc1njyvqzi3mdauanbnfgjmzdzkmwjhndvkzmy0yzmzmzm2otqwmziwnmziywnkymfhntm5mjg2zgu1yznknzk4ytiwnzezyti5ywy1ndq.jpeg)
