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CAS 169384-56-9 Methyl N-Cbz-2-piperidineacetate molecular structure lightbox
CAS RN: 169384-56-9

Methyl N-Cbz-2-piperidineacetate

  • Product code: SSC-073956
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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: 5g
  • 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 169384-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

169384-56-9 / benzyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Standard CAS: 169384-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169384-56-9
Multi CAS
No
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
SMILES
COC(=O)CC1CCCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-20-15(18)11-14-9-5-6-10-17(14)16(19)21-12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKey
HFNHPSQNKDZEAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
77.61
TPSA
55.84

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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