![CAS 864466-70-6 S-2-[diphenyl[(triethylsilyl)oxy]Methyl]-Pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864466-70-6.gif)
CAS RN: 864466-70-6
S-2-[diphenyl[(triethylsilyl)oxy]Methyl]-Pyrrolidine
- Product code: SSC-195512
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 |
864466-70-6 / [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-triethylsilane
Basic Information
CAS
864466-70-6
Multi CAS
Yes
Molecular Formula
C23H33NOSi
Molecular Weight
367.600000
Exact Mass
367.233141
InChI
InChI=1S/C23H33NOSi/c1-4-26(5-2,6-3)25-23(22-18-13-19-24-22,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17,22,24H,4-6,13,18-19H2,1-3H3/t22-/m0/s1
InChIKey
IBZUYVBRWOKYBZ-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
8
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)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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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