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CAS 1149333-40-3 tert-butyl 2-amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate molecular structure lightbox
CAS RN: 1149333-40-3

tert-butyl 2-amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

  • Product code: SSC-014625
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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 1149333-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1149333-40-3 / tert-butyl 2-amino-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-Butyl 2-Amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate | MFCD16987655 | tert-butyl 2-amino-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Standard CAS: 1149333-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1149333-40-3
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-6-10-9(8-16)4-5-11(14)15-10/h4-5H,6-8H2,1-3H3,(H2,14,15)
InChIKey
LVCYIRQQPQEBSD-UHFFFAOYSA-N
Synonyms
tert-Butyl 2-Amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate MFCD16987655 tert-butyl 2-amino-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate 1,1-dimethylethyl 2-amino-7,8-dihydro-1,6-naphthyridine-6(5h)-carboxylate SCHEMBL10255757

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69
TPSA
68.45

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.3
Consensus LogP
1.66
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-2.85

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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