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CAS 1366050-48-7 2,8-dichloro-7-nitro-1,5-naphthyridine molecular structure lightbox
CAS RN: 1366050-48-7

2,8-dichloro-7-nitro-1,5-naphthyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1366050-48-7
  • Purity/Analytical Methods: >99.0%
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1366050-48-7 / 2,8-dichloro-7-nitro-1,5-naphthyridine

Standard CAS: 1366050-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1366050-48-7
Multi CAS
No
Molecular Formula
C8H3Cl2N3O2
Molecular Weight
244.030000
Exact Mass
242.960232
SMILES
C1=CC(=NC2=C(C(=CN=C21)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C8H3Cl2N3O2/c9-6-2-1-4-8(12-6)7(10)5(3-11-4)13(14)15/h1-3H
InChIKey
GECCKOMBWFQPNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.21
TPSA
68.92

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

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

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