![CAS 849767-21-1 1-BOC-3-[(1,1-DIMETHYLETHYL)DIMETHYLSILYLOXYMETHYL]-PIPERIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849767-21-1.gif)
CAS RN: 849767-21-1
1-BOC-3-[(1,1-DIMETHYLETHYL)DIMETHYLSILYLOXYMETHYL]-PIPERIDIN-4-ONE
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS849767-21-1
- Purity/Analytical Methods: >99.0%
849767-21-1 / tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
Basic Information
CAS
849767-21-1
Multi CAS
No
Molecular Formula
C17H33NO4Si
Molecular Weight
343.500000
Exact Mass
343.217885
InChI
InChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-10-9-14(19)13(11-18)12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3
InChIKey
JAHLOXSIZAHFSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
94.07
TPSA
55.84
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
3.83
Consensus LogP
3.68
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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