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CAS 1333319-62-2 tert-butyl 4-amino-2-oxo-5,6-dihydropyridine-1(2H)-carboxylate molecular structure lightbox
CAS RN: 1333319-62-2

tert-butyl 4-amino-2-oxo-5,6-dihydropyridine-1(2H)-carboxylate

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100mg In stock Shenzhen Inquiry
Batchno.20250713 1g Out of stock Inquiry
Batchno.20251228 250mg In stock Tianjin Inquiry
Batchno.20250606 5g Out of stock Inquiry
  • Product code: SSC-040024
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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: 0.25g
  • 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 1333319-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1333319-62-2 / tert-butyl 4-amino-6-oxo-2,3-dihydropyridine-1-carboxylate

Standard CAS: 1333319-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333319-62-2
Multi CAS
No
Molecular Formula
C10H16N2O3
Molecular Weight
212.250000
Exact Mass
212.116092
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1=O)N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)6-8(12)13/h6H,4-5,11H2,1-3H3
InChIKey
RNSZCMUVIYHTIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.83
TPSA
72.63

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.31

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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