CAS RN: 118263-96-0
5-METHYL-2,4-PIPERIDINEDIONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS118263-96-0
- Purity/Analytical Methods: >99.0%
118263-96-0 / 5-methylpiperidine-2,4-dione
5-METHYL-2,4-PIPERIDINEDIONE | 5-Methylpiperidine-2,4-dione | MFCD09999165
Basic Information
CAS
118263-96-0
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
CC1CNC(=O)CC1=O
InChI
InChI=1S/C6H9NO2/c1-4-3-7-6(9)2-5(4)8/h4H,2-3H2,1H3,(H,7,9)
InChIKey
MZUKNEQMBPDXHO-UHFFFAOYSA-N
Synonyms
5-METHYL-2,4-PIPERIDINEDIONE
5-Methylpiperidine-2,4-dione
MFCD09999165
2,4-Piperidinedione, 5-methyl-
SCHEMBL9711531
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.8
TPSA
46.17
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-3.7
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
2
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- Purity/Analytical method: >99.0%
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