CAS RN: 182801-94-1
(tert-butyl)(cyclopent-3-enyloxy)diphenylsilane
- Product code: SSC-084621
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 |
182801-94-1 / tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
Basic Information
CAS
182801-94-1
Multi CAS
No
Molecular Formula
C21H26OSi
Molecular Weight
322.500000
Exact Mass
322.175292
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC=CC3
InChI
InChI=1S/C21H26OSi/c1-21(2,3)23(19-14-6-4-7-15-19,20-16-8-5-9-17-20)22-18-12-10-11-13-18/h4-11,14-18H,12-13H2,1-3H3
InChIKey
GCODZQWZNXYLIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
100.87
TPSA
9.23
LogP / Solubility
WLOGP
4.28
MLOGP
3.78
XLogP3
4.28
Consensus LogP
4.11
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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