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CAS 39514-19-7 1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 39514-19-7

1-BENZYL-3-OXO-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-147198
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39514-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

39514-19-7 / ethyl 1-benzyl-3-oxopiperidine-4-carboxylate

Standard CAS: 39514-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39514-19-7
Multi CAS
Yes
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
JYFGIESQUYQLGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
71.47
TPSA
46.61

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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