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CAS 848070-26-8 1,4,4-Piperidinetricarboxylic acid, 1-(1,1-diMethylethyl) 4,4-diethyl ester molecular structure lightbox
CAS RN: 848070-26-8

1,4,4-Piperidinetricarboxylic acid, 1-(1,1-diMethylethyl) 4,4-diethyl ester

  • Product code: SSC-192443
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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 848070-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

848070-26-8 / 1-O-tert-butyl 4-O,4-O'-diethyl piperidine-1,4,4-tricarboxylate

Standard CAS: 848070-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848070-26-8
Multi CAS
No
Molecular Formula
C16H27NO6
Molecular Weight
329.390000
Exact Mass
329.183838
InChI
InChI=1S/C16H27NO6/c1-6-21-12(18)16(13(19)22-7-2)8-10-17(11-9-16)14(20)23-15(3,4)5/h6-11H2,1-5H3
InChIKey
UOEYKNPDPRQKCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
82.74
TPSA
82.14

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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