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CAS 1373223-07-4 2-Boc-1,2,3,4-Tetrahydro-[2,7]naphthyridine molecular structure lightbox
CAS RN: 1373223-07-4

2-Boc-1,2,3,4-Tetrahydro-[2,7]naphthyridine

  • Product code: SSC-046795
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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 1373223-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1373223-07-4 / tert-butyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

Standard CAS: 1373223-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373223-07-4
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=NC=C2
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-7-5-10-4-6-14-8-11(10)9-15/h4,6,8H,5,7,9H2,1-3H3
InChIKey
YSBUHVVKNBTNOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.59
TPSA
42.43

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.6
Consensus LogP
2.02
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.46

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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