![CAS 948594-99-8 Pyrrolidine, 2-[bis(3,5-dimethylphenyl)[(trimethylsilyl)oxy]methyl]-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/948594-99-8.gif)
CAS RN: 948594-99-8
Pyrrolidine, 2-[bis(3,5-dimethylphenyl)[(trimethylsilyl)oxy]methyl]-, (2R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS948594-99-8
- Purity/Analytical Methods: >99.0%
948594-99-8 / [bis(3,5-dimethylphenyl)-pyrrolidin-2-ylmethoxy]-trimethylsilane
Basic Information
CAS
948594-99-8
Multi CAS
Yes
Molecular Formula
C24H35NOSi
Molecular Weight
381.600000
Exact Mass
381.248791
InChI
InChI=1S/C24H35NOSi/c1-17-11-18(2)14-21(13-17)24(26-27(5,6)7,23-9-8-10-25-23)22-15-19(3)12-20(4)16-22/h11-16,23,25H,8-10H2,1-7H3
InChIKey
JQCAWHIRAPRAPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
118.07
TPSA
21.26
LogP / Solubility
WLOGP
5.77
MLOGP
5.1
XLogP3
5.77
Consensus LogP
5.55
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
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)
-0.95
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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