CAS RN: 1009376-53-7
1-TERT-BUTYL 3-METHYL (3R,4R)-REL-4-METHYLPIPERIDINE-1,3-DICARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009376-53-7
- Purity/Analytical Methods: >99.0%
1009376-53-7 / 1-O-tert-butyl 3-O-methyl (3R,4R)-4-methylpiperidine-1,3-dicarboxylate
1-TERT-BUTYL 3-METHYL 4-METHYLPIPERIDINE-1,3-DICARBOXYLATE | MFCD21362509 | 1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
Basic Information
CAS
1009376-53-7
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
C[C@@H]1CCN(C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-9-6-7-14(8-10(9)11(15)17-5)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKey
CUBAIJGHSDICOZ-ZJUUUORDSA-N
Synonyms
1-TERT-BUTYL 3-METHYL 4-METHYLPIPERIDINE-1,3-DICARBOXYLATE
MFCD21362509
1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
1-O-tert-butyl 3-O-methyl 4-methylpiperidine-1,3-dicarboxylate
1-tert-butyl 3-methyl (3S,4R)-rel-4-methylpiperidine-1,3-dicarboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.09
TPSA
55.84
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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