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CAS 362706-09-0 3-AMINO-1-[(1,1-DIMETHYLETHOXY)CARBONYL]-3-PIPERIDINEACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 362706-09-0

3-AMINO-1-[(1,1-DIMETHYLETHOXY)CARBONYL]-3-PIPERIDINEACETIC ACID METHYL ESTER

  • Product code: SSC-143472
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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 362706-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

362706-09-0 / tert-butyl 3-amino-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Standard CAS: 362706-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
362706-09-0
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-6-13(14,9-15)8-10(16)18-4/h5-9,14H2,1-4H3
InChIKey
NDMRCHRWCDLSCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.59
TPSA
81.86

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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