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CAS 5166-67-6 Ethyl 1-Methyl-3-piperidinecarboxylate molecular structure lightbox
CAS RN: 5166-67-6

Ethyl 1-Methyl-3-piperidinecarboxylate

  • Product code: SSC-158605
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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: 25g, 100g
  • Available purity: ＞97%
  • 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 5166-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

5166-67-6 / ethyl 1-methylpiperidine-3-carboxylate

Standard CAS: 5166-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5166-67-6
Multi CAS
Yes
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
InChIKey
VFJJNMLPRDRTCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.85
TPSA
29.54

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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