![CAS 1415760-15-4 (S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][[trisisopropylsilyl]oxy]methyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415760-15-4.gif)
CAS RN: 1415760-15-4
(S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl][[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.20250716 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415760-15-4
- Purity/Analytical Methods: >99.0%
1415760-15-4 / [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-tri(propan-2-yl)silane
Basic Information
CAS
1415760-15-4
Multi CAS
No
Molecular Formula
C30H35F12NOSi
Molecular Weight
681.700000
Exact Mass
681.229629
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC(C1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C30H35F12NOSi/c1-16(2)45(17(3)4,18(5)6)44-26(25-8-7-9-43-25,19-10-21(27(31,32)33)14-22(11-19)28(34,35)36)20-12-23(29(37,38)39)15-24(13-20)30(40,41)42/h10-18,25,43H,7-9H2,1-6H3
InChIKey
DONQUERPXRZJJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
146.83
TPSA
21.26
LogP / Solubility
WLOGP
10.95
MLOGP
9.69
XLogP3
10.95
Consensus LogP
10.53
Log S (ESOL)
-10.63
Class (ESOL)
Insoluble
Log S (Ali)
-13.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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