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CAS 13200-35-6 (2S,6R)-2,6-dimethylpiperidin-4-one molecular structure lightbox
CAS RN: 13200-35-6

(2S,6R)-2,6-dimethylpiperidin-4-one

  • Product code: SSC-039065
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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: ≥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 13200-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13200-35-6 / (2R,6S)-2,6-dimethylpiperidin-4-one

Standard CAS: 13200-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13200-35-6
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
C[C@@H]1CC(=O)C[C@@H](N1)C
InChI
InChI=1S/C7H13NO/c1-5-3-7(9)4-6(2)8-5/h5-6,8H,3-4H2,1-2H3/t5-,6+
InChIKey
LVYOYMNCAWSORG-OLQVQODUSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.3
TPSA
29.1

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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