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CAS 1393558-33-2 6-Chloro-1,4-dihydro-2H-[2,7]naphthyridin-3-one molecular structure lightbox
CAS RN: 1393558-33-2

6-Chloro-1,4-dihydro-2H-[2,7]naphthyridin-3-one

  • Product code: SSC-049868
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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: ＞97%
  • 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 1393558-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1393558-33-2 / 6-chloro-2,4-dihydro-1H-2,7-naphthyridin-3-one

Standard CAS: 1393558-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393558-33-2
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
C1C2=CC(=NC=C2CNC1=O)Cl
InChI
InChI=1S/C8H7ClN2O/c9-7-1-5-2-8(12)11-4-6(5)3-10-7/h1,3H,2,4H2,(H,11,12)
InChIKey
QLMYDUMKXXBULG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.8
TPSA
41.99

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.6
Consensus LogP
0.77
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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