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CAS 853648-47-2 7,8-DIHYDRO-1,7-NAPHTHYRIDIN-6(5H)-ONE molecular structure lightbox
CAS RN: 853648-47-2

7,8-DIHYDRO-1,7-NAPHTHYRIDIN-6(5H)-ONE

  • Product code: SSC-193711
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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 853648-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

853648-47-2 / 7,8-dihydro-5H-1,7-naphthyridin-6-one

Standard CAS: 853648-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853648-47-2
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c11-8-4-6-2-1-3-9-7(6)5-10-8/h1-3H,4-5H2,(H,10,11)
InChIKey
XYLHYWKYZKPDRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.79
TPSA
41.99

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
-0.3
Consensus LogP
0.06
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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