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CAS 362703-34-2 1-tert-butyl4-Methyl4-cyanopiperidine-1,4-dicarboxylate molecular structure lightbox
CAS RN: 362703-34-2

1-tert-butyl4-Methyl4-cyanopiperidine-1,4-dicarboxylate

  • Product code: SSC-143464
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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: ＞97%
  • 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 362703-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

362703-34-2 / 1-O-tert-butyl 4-O-methyl 4-cyanopiperidine-1,4-dicarboxylate

Standard CAS: 362703-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362703-34-2
Multi CAS
Yes
Molecular Formula
C13H20N2O4
Molecular Weight
268.310000
Exact Mass
268.142307
InChI
InChI=1S/C13H20N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-8H2,1-4H3
InChIKey
BNHQNHASKIVGOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
67.1
TPSA
79.63

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-3.15

Drug-likeness / Medicinal Chemistry

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

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