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CAS 122806-10-4 ETHYL 3-PHENYL-2-(PIPERIDIN-1-YL)PROPANOATE molecular structure lightbox
CAS RN: 122806-10-4

ETHYL 3-PHENYL-2-(PIPERIDIN-1-YL)PROPANOATE

  • Product code: SSC-026319
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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: 0.25g
  • 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 122806-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

122806-10-4 / ethyl 3-phenyl-2-piperidin-1-ylpropanoate

Standard CAS: 122806-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122806-10-4
Multi CAS
No
Molecular Formula
C16H23NO2
Molecular Weight
261.360000
Exact Mass
261.172879
SMILES
CCOC(=O)C(CC1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChIKey
SBLOJVMHVGRPPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
75.99
TPSA
29.54

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
3.4
Consensus LogP
2.8
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

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