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CAS 1838-39-7 Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate molecular structure lightbox
CAS RN: 1838-39-7

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate

  • Product code: SSC-085001
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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: 1g
  • 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 1838-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1838-39-7 / ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate

Standard CAS: 1838-39-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1838-39-7
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCOC(=O)CN1CCC(CC1)C(=O)OCC
InChI
InChI=1S/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKey
OBXXSRPAQLOXJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
62.43
TPSA
55.84

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
1.3
Consensus LogP
0.95
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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