CAS RN: 1010115-47-5
1-CBZ-3-METHYL-PIPERIDIN-4-ONE
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251122 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251018 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250917 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251018 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS1010115-47-5
- Purity/Analytical Methods: >99.0%
1010115-47-5 / benzyl 3-methyl-4-oxopiperidine-1-carboxylate
BENZYL 3-METHYL-4-OXOPIPERIDINE-1-CARBOXYLATE | 1-CBZ-3-METHYL-4-PIPERIDONE | 1-CBZ-3-METHYL-PIPERIDIN-4-ONE
Basic Information
CAS
1010115-47-5
Multi CAS
Yes
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
CC1CN(CCC1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-11-9-15(8-7-13(11)16)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
BKCUJRUBSQTDSQ-UHFFFAOYSA-N
Synonyms
BENZYL 3-METHYL-4-OXOPIPERIDINE-1-CARBOXYLATE
1-CBZ-3-METHYL-4-PIPERIDONE
1-CBZ-3-METHYL-PIPERIDIN-4-ONE
MFCD11848402
Benzyl 3-methyl-4-oxo-piperidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.99
TPSA
46.61
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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