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CAS 4706-33-6 OXO-PIPERIDIN-1-YL-ACETIC ACID molecular structure lightbox
CAS RN: 4706-33-6

OXO-PIPERIDIN-1-YL-ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4706-33-6
  • Purity/Analytical Methods: >99.0%
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4706-33-6 / 2-oxo-2-piperidin-1-ylacetic acid

Standard CAS: 4706-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4706-33-6
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
InChI
InChI=1S/C7H11NO3/c9-6(7(10)11)8-4-2-1-3-5-8/h1-5H2,(H,10,11)
InChIKey
MGUUGECHSXIHBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.07
TPSA
57.61

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
0.5
Consensus LogP
0.22
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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