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CAS 198646-60-5 1-(tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid molecular structure lightbox
CAS RN: 198646-60-5

1-(tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid

  • Product code: SSC-093599
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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, 10g, 25g, 0.1g, 0.25g, 5g, 100g
  • Available purity: >95%
  • 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 198646-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 4 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

198646-60-5 / (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid

Standard CAS: 198646-60-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
198646-60-5
Multi CAS
No
Molecular Formula
C11H17NO5
Molecular Weight
243.260000
Exact Mass
243.110673
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKey
GPBCBXYUAJQMQM-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.6
TPSA
83.91

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
0.2
Consensus LogP
0.72
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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