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CAS 4007-79-8 5,5-DiMethylpiperidin-2-one molecular structure lightbox
CAS RN: 4007-79-8

5,5-DiMethylpiperidin-2-one

  • Product code: SSC-147960
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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 4007-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

4007-79-8 / 5,5-dimethylpiperidin-2-one

Standard CAS: 4007-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4007-79-8
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
InChI
InChI=1S/C7H13NO/c1-7(2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKey
LZDUSDGRALPEID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.02
TPSA
29.1

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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