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CAS 46475-04-1 6-oxo-3-phenylpiperidine-3-carboxylic acid(WX160349) molecular structure lightbox
CAS RN: 46475-04-1

6-oxo-3-phenylpiperidine-3-carboxylic acid(WX160349)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS46475-04-1
  • Purity/Analytical Methods: >99.0%
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46475-04-1 / 6-oxo-3-phenylpiperidine-3-carboxylic acid

Standard CAS: 46475-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46475-04-1
Multi CAS
No
Molecular Formula
C12H13NO3
Molecular Weight
219.240000
Exact Mass
219.089543
InChI
InChI=1S/C12H13NO3/c14-10-6-7-12(8-13-10,11(15)16)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
InChIKey
ITWJELJENLIOLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58
TPSA
66.4

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.6
Consensus LogP
0.78
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

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

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