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CAS 654059-21-9 Piperidine, 3-methyl-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]-, (3S)- (9CI) molecular structure lightbox
CAS RN: 654059-21-9

Piperidine, 3-methyl-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]-, (3S)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS654059-21-9
  • Purity/Analytical Methods: >99.0%
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654059-21-9 / 3-methyl-2-[(3S)-3-methylpiperidine-1-carbonyl]-4-propan-2-yl-1,2-oxazol-5-one

Standard CAS: 654059-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
654059-21-9
Multi CAS
Yes
Molecular Formula
C14H22N2O3
Molecular Weight
266.340000
Exact Mass
266.163043
InChI
InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKey
XWESKOHENXWEAX-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
72.56
TPSA
55.45

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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