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CAS 2101842-28-6 1,7-Naphthyridine, 8-chloro-3-ethenyl- molecular structure lightbox
CAS RN: 2101842-28-6

1,7-Naphthyridine, 8-chloro-3-ethenyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2101842-28-6
  • Purity/Analytical Methods: >99.0%
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2101842-28-6 / 8-chloro-3-ethenyl-1,7-naphthyridine

Standard CAS: 2101842-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2101842-28-6
Multi CAS
No
Molecular Formula
C10H7ClN2
Molecular Weight
190.630000
Exact Mass
190.029776
SMILES
C=CC1=CN=C2C(=C1)C=CN=C2Cl
InChI
InChI=1S/C10H7ClN2/c1-2-7-5-8-3-4-12-10(11)9(8)13-6-7/h2-6H,1H2
InChIKey
RUBAKWSVGRTJBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.64
TPSA
25.78

LogP / Solubility

WLOGP
2.93
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-1.81

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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