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CAS 672323-13-6 3-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 672323-13-6

3-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER

  • Product code: SSC-176886
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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 672323-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

672323-13-6 / benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

Standard CAS: 672323-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
672323-13-6
Multi CAS
Yes
Molecular Formula
C18H23NO5
Molecular Weight
333.400000
Exact Mass
333.157623
InChI
InChI=1S/C18H23NO5/c1-2-23-17(21)11-16(20)15-9-6-10-19(12-15)18(22)24-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKey
FYACXTJMCLJTLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
87.18
TPSA
72.91

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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