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CAS 130250-54-3 Ethyl 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylate molecular structure lightbox
CAS RN: 130250-54-3

Ethyl 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylate

  • Product code: SSC-036897
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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: 5g, 10g, 25g, 100g, 1000g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 130250-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Shanghai Inquiry
1000g >98% 4 In Stock Hong Kong Inquiry
500g >98% 2 In Stock Beijing Inquiry

130250-54-3 / 1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate

Standard CAS: 130250-54-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130250-54-3
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
YCXCRFGBFZTUSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.16
TPSA
55.84

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.8
Consensus LogP
1.98
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501

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