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CAS 167170-23-2 Ethyl N-Cbz-2-piperidineacetate molecular structure lightbox
CAS RN: 167170-23-2

Ethyl N-Cbz-2-piperidineacetate

  • Product code: SSC-072918
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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 167170-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

167170-23-2 / benzyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

Standard CAS: 167170-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167170-23-2
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CCOC(=O)CC1CCCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H23NO4/c1-2-21-16(19)12-15-10-6-7-11-18(15)17(20)22-13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKey
DJNAOSVXYDYKKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
82.22
TPSA
55.84

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
2.7
Consensus LogP
2.87
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

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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