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CAS 25077-25-2 2,6-Piperidinedione, 1-methyl- molecular structure lightbox
CAS RN: 25077-25-2

2,6-Piperidinedione, 1-methyl-

  • Product code: SSC-120608
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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: 5g
  • 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 25077-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

25077-25-2 / 1-methylpiperidine-2,6-dione

Standard CAS: 25077-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25077-25-2
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
CN1C(=O)CCCC1=O
InChI
InChI=1S/C6H9NO2/c1-7-5(8)3-2-4-6(7)9/h2-4H2,1H3
InChIKey
VUYOLIKWIVQHBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
31.63
TPSA
37.38

LogP / Solubility

WLOGP
0.16
MLOGP
0.13
XLogP3
-0.5
Consensus LogP
-0.07
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very 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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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