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CAS 133192-44-6 2-Piperidinecarboxylicacid,4-hydroxy-,methylester,cis-(9CI) molecular structure lightbox
CAS RN: 133192-44-6

2-Piperidinecarboxylicacid,4-hydroxy-,methylester,cis-(9CI)

  • Product code: SSC-039869
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 133192-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

133192-44-6 / methyl (2S,4R)-4-hydroxypiperidine-2-carboxylate

Standard CAS: 133192-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133192-44-6
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
COC(=O)[C@@H]1C[C@@H](CCN1)O
InChI
InChI=1S/C7H13NO3/c1-11-7(10)6-4-5(9)2-3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
XYDFSCGFCFYWNY-RITPCOANSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.05
TPSA
58.56

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.4
Consensus LogP
-0.59
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
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)
-4.21

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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