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CAS 67967-12-8 4-bromo-1,7-naphthyridin-2(1H)-one molecular structure lightbox
CAS RN: 67967-12-8

4-bromo-1,7-naphthyridin-2(1H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS67967-12-8
  • Purity/Analytical Methods: >99.0%
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67967-12-8 / 4-bromo-1H-1,7-naphthyridin-2-one

Standard CAS: 67967-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67967-12-8
Multi CAS
No
Molecular Formula
BC8H5ORn2
Molecular Weight
225.040000
Exact Mass
223.958530
InChI
InChI=1S/C8H5BrN2O/c9-6-3-8(12)11-7-4-10-2-1-5(6)7/h1-4H,(H,11,12)
InChIKey
HXNAZEIWAPMMDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.06
TPSA
45.75

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
0.7
Consensus LogP
1.29
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

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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