![CAS 805245-41-4 tert-Butyl(((3aR,4R,6aR)-5-fluoro-2,2-dimethyl-6-((trityloxy)methyl)-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)diphenylsilane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/805245-41-4.png)
CAS RN: 805245-41-4
tert-Butyl(((3aR,4R,6aR)-5-fluoro-2,2-dimethyl-6-((trityloxy)methyl)-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)diphenylsilane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-189325
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 |
805245-41-4 / [(3aR,6R,6aR)-5-fluoro-2,2-dimethyl-4-(trityloxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-diphenylsilane
Basic Information
CAS
805245-41-4
Multi CAS
Yes
Molecular Formula
C44FH45O4Si
Molecular Weight
684.900000
Exact Mass
684.307115
InChI
InChI=1S/C44H45FO4Si/c1-42(2,3)50(35-27-17-9-18-28-35,36-29-19-10-20-30-36)49-40-38(45)37(39-41(40)48-43(4,5)47-39)31-46-44(32-21-11-6-12-22-32,33-23-13-7-14-24-33)34-25-15-8-16-26-34/h6-30,39-41H,31H2,1-5H3/t39-,40+,41-/m1/s1
InChIKey
FGVFROJJJDOTDT-RJBDQUNGSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
30
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
199.61
TPSA
36.92
LogP / Solubility
WLOGP
8.7
MLOGP
7.71
XLogP3
8.7
Consensus LogP
8.37
Log S (ESOL)
-9.35
Class (ESOL)
Insoluble
Log S (Ali)
-11.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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![CAS 1360771-89-6 ((3aR,8aS)-8,8a-Dihydro-3aH-indeno[1,2-d]oxazol-2-yl)((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)methane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1360771-89-6.png)