![CAS 441785-04-2 [1-(tert-Butyldiphenylsilanyloxymethyl)-cyclopropyl]-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/441785-04-2.gif)
CAS RN: 441785-04-2
[1-(tert-Butyldiphenylsilanyloxymethyl)-cyclopropyl]-methanol
- Product code: SSC-152188
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 | Shenzhen | Inquiry |
441785-04-2 / [1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol
Basic Information
CAS
441785-04-2
Multi CAS
No
Molecular Formula
C21H28O2Si
Molecular Weight
340.500000
Exact Mass
340.185857
InChI
InChI=1S/C21H28O2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-21(16-22)14-15-21/h4-13,22H,14-17H2,1-3H3
InChIKey
RKASLGHLNYLYMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.33
TPSA
29.46
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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