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CAS 475085-34-8 1-Piperidinecarboxylic acid, 3,5-diMethyl-4-oxo-, 1,1-diMethylethylester molecular structure lightbox
CAS RN: 475085-34-8

1-Piperidinecarboxylic acid, 3,5-diMethyl-4-oxo-, 1,1-diMethylethylester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260510 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250113 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250310 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS475085-34-8
  • Purity/Analytical Methods: >99.0%
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475085-34-8 / tert-butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate

Standard CAS: 475085-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
475085-34-8
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
InChI
InChI=1S/C12H21NO3/c1-8-6-13(7-9(2)10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKey
WTHLCGOZBTXTTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.14
TPSA
46.61

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.7
Consensus LogP
1.87
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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