CAS RN: 911389-21-4

8-Chloro-2-Methyl-1,5-naphthyridine

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  • Product code: starshine_CAS911389-21-4
  • Purity/Analytical Methods: >99.0%
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911389-21-4 / 8-chloro-2-methyl-1,5-naphthyridine

Standard CAS: 911389-21-4 Multi CAS: No

Basic Information

CAS
911389-21-4
Multi CAS
No
Molecular Formula
C9H7CLN2
Molecular Weight
178.620000
Exact Mass
178.029776
InChI
InChI=1S/C9H7ClN2/c1-6-2-3-8-9(12-6)7(10)4-5-11-8/h2-5H,1H3
InChIKey
GGHHDIKBFBPFHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.29
TPSA
25.78

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.97

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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