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CAS 947403-75-0 4-AMino-5,6-dihydro-2H-pyridine-1,3-dicarboxylicacid1-tert-butylester3-ethylester molecular structure lightbox
CAS RN: 947403-75-0

4-AMino-5,6-dihydro-2H-pyridine-1,3-dicarboxylicacid1-tert-butylester3-ethylester

  • Product code: SSC-209917
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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: 5g
  • 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 947403-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

947403-75-0 / 1-O-tert-butyl 5-O-ethyl 4-amino-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

Standard CAS: 947403-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947403-75-0
Multi CAS
No
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
InChI
InChI=1S/C13H22N2O4/c1-5-18-11(16)9-8-15(7-6-10(9)14)12(17)19-13(2,3)4/h5-8,14H2,1-4H3
InChIKey
GJAQACJJJRXXED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.27
TPSA
81.86

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.37

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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