CAS RN: 1820030-49-6
(R,Z)-4-((tert-Butyldimethylsilyl)oxy)-N,N-diphenylpent-2-enamide
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.20260201 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR897596
1820030-49-6 / (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-diphenylpent-2-enamide
Basic Information
CAS
1820030-49-6
Multi CAS
No
Molecular Formula
C23H31NO2Si
Molecular Weight
381.600000
Exact Mass
381.212406
SMILES
C[C@H](/C=C\C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H31NO2Si/c1-19(26-27(5,6)23(2,3)4)17-18-22(25)24(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,1-6H3/b18-17-/t19-/m1/s1
InChIKey
FFYIODYJFXUZLG-SPSXULPESA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
116.91
TPSA
29.54
LogP / Solubility
WLOGP
6.32
MLOGP
5.58
XLogP3
6.32
Consensus LogP
6.07
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
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)
-0.56
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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