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CAS 133696-21-6 (2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 133696-21-6

(2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS133696-21-6
  • Purity/Analytical Methods: >99.0%
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133696-21-6 / (2R,4R)-4-hydroxypiperidine-2-carboxylic acid;hydrochloride

Standard CAS: 133696-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133696-21-6
Multi CAS
No
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
C1CN[C@H](C[C@@H]1O)C(=O)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c8-4-1-2-7-5(3-4)6(9)10;/h4-5,7-8H,1-3H2,(H,9,10);1H/t4-,5-;/m1./s1
InChIKey
ZRVKITWJAUZNSB-TYSVMGFPSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.92
TPSA
69.56

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.35
XLogP3
-0.39
Consensus LogP
-0.38
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-4.11

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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