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CAS 49655-93-8 1,8-NAPHTHYRIDINE-2,7(1H,8H)-DIONE molecular structure lightbox
CAS RN: 49655-93-8

1,8-NAPHTHYRIDINE-2,7(1H,8H)-DIONE

  • Product code: SSC-155876
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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 49655-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

49655-93-8 / 1,8-dihydro-1,8-naphthyridine-2,7-dione

Standard CAS: 49655-93-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49655-93-8
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
InChI
InChI=1S/C8H6N2O2/c11-6-3-1-5-2-4-7(12)10-8(5)9-6/h1-4H,(H2,9,10,11,12)
InChIKey
LJALSNRALPCDMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.19
TPSA
65.72

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.6
Consensus LogP
-0.06
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
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)
-3.56

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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