CAS RN: 67967-18-4
5,8-dichloro-1,7-naphthyridine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS67967-18-4
- Purity/Analytical Methods: >99.0%
67967-18-4 / 5,8-dichloro-1,7-naphthyridine
Basic Information
CAS
67967-18-4
Multi CAS
No
Molecular Formula
C8H4CL2N2
Molecular Weight
199.030000
Exact Mass
197.975154
InChI
InChI=1S/C8H4Cl2N2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H
InChIKey
CDCLDEAJFLGQNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
49.56
TPSA
25.78
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-1.85
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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