![CAS 864466-71-7 (S)-[(diphenyl)-t-butyldimethylsiloxymethyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864466-71-7.gif)
CAS RN: 864466-71-7
(S)-[(diphenyl)-t-butyldimethylsiloxymethyl]pyrrolidine
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-195513
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 |
864466-71-7 / tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane
Basic Information
CAS
864466-71-7
Multi CAS
Yes
Molecular Formula
C23H33NOSi
Molecular Weight
367.600000
Exact Mass
367.233141
InChI
InChI=1S/C23H33NOSi/c1-22(2,3)26(4,5)25-23(21-17-12-18-24-21,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,21,24H,12,17-18H2,1-5H3/t21-/m0/s1
InChIKey
YJFSFDYMOMREQP-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
112.97
TPSA
21.26
LogP / Solubility
WLOGP
5.7
MLOGP
5.04
XLogP3
5.7
Consensus LogP
5.48
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91
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
3
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