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CAS 126641-65-4 2-Piperidinecarboxylicacid,4-hydroxy-,(2R,4S)-rel-(9CI) molecular structure lightbox
CAS RN: 126641-65-4

2-Piperidinecarboxylicacid,4-hydroxy-,(2R,4S)-rel-(9CI)

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3 package records0 with current stock1 grade group
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Batchno.20250114 100mg Out of stock Inquiry
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  • Product code: starshine_CAS126641-65-4
  • Purity/Analytical Methods: >99.0%
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126641-65-4 / (2R,4S)-4-hydroxypiperidine-2-carboxylic acid

Standard CAS: 126641-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126641-65-4
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
C1CN[C@H](C[C@H]1O)C(=O)O
InChI
InChI=1S/C6H11NO3/c8-4-1-2-7-5(3-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKey
KRHNXNZBLHHEIU-CRCLSJGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.67
TPSA
69.56

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.72
XLogP3
-3
Consensus LogP
-1.51
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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