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CAS 184368-70-5 trans-2,6-Dimethylpiperidin-4-one,N-BOCprotected molecular structure lightbox
CAS RN: 184368-70-5

trans-2,6-Dimethylpiperidin-4-one,N-BOCprotected

  • Product code: SSC-085252
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 184368-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shanghai Inquiry
10g >98% 0 Out of Stock Shanghai Inquiry

184368-70-5 / tert-butyl (2S,6S)-2,6-dimethyl-4-oxopiperidine-1-carboxylate

Standard CAS: 184368-70-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
184368-70-5
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
C[C@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey
ADBYGASBXODWTQ-RKDXNWHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.24
TPSA
46.61

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.4
Consensus LogP
1.95
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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