![CAS 1339961-44-2 (S)-2-[Diphenyl[[trisisopropylsilyl]oxy]methyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1339961-44-2.gif)
CAS RN: 1339961-44-2
(S)-2-[Diphenyl[[trisisopropylsilyl]oxy]methyl]pyrrolidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260528 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1339961-44-2
- Purity/Analytical Methods: >99.0%
1339961-44-2 / [diphenyl(pyrrolidin-2-yl)methoxy]-tri(propan-2-yl)silane
Basic Information
CAS
1339961-44-2
Multi CAS
No
Molecular Formula
C26H39NOSi
Molecular Weight
409.700000
Exact Mass
409.280091
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC(C1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H39NOSi/c1-20(2)29(21(3)4,22(5)6)28-26(25-18-13-19-27-25,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,20-22,25,27H,13,18-19H2,1-6H3
InChIKey
GCWDUYAEDRMRAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
126.82
TPSA
21.26
LogP / Solubility
WLOGP
6.87
MLOGP
6.07
XLogP3
6.87
Consensus LogP
6.6
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.99
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)
-0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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