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CAS 436093-17-3 1-(cyclohexylcarbonyl)piperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 436093-17-3

1-(cyclohexylcarbonyl)piperidine-4-carboxylic acid

  • Product code: SSC-151756
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 436093-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

436093-17-3 / 1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid

Standard CAS: 436093-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
436093-17-3
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
InChI
InChI=1S/C13H21NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKey
GEQOTAQXXZTTQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.51
TPSA
57.61

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.84

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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