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CAS 324769-06-4 1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-4-OXOPIPERIDINE molecular structure lightbox
CAS RN: 324769-06-4

1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-4-OXOPIPERIDINE

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100g In stock Shanghai, Wuhan Inquiry
Batchno.20250803 10g In stock Shanghai, Wuhan Inquiry
Batchno.20251114 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250321 1kg Out of stock Inquiry
Batchno.20250422 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250406 500g In stock Shanghai Inquiry
Batchno.20250112 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS324769-06-4
  • Purity/Analytical Methods: >99.0%
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324769-06-4 / tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

Standard CAS: 324769-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
324769-06-4
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3
InChIKey
MXCAGVCUIHYAGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.21
TPSA
46.61

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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