CAS RN: 1250444-30-4
8-Chloro-6-methyl-1,7-naphthyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250417 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1250444-30-4
- Purity/Analytical Methods: >99.0%
1250444-30-4 / 8-chloro-6-methyl-1,7-naphthyridine
Basic Information
CAS
1250444-30-4
Multi CAS
No
Molecular Formula
C9H7ClN2
Molecular Weight
178.620000
Exact Mass
178.029776
SMILES
CC1=CC2=C(C(=N1)Cl)N=CC=C2
InChI
InChI=1S/C9H7ClN2/c1-6-5-7-3-2-4-11-8(7)9(10)12-6/h2-5H,1H3
InChIKey
IAFZDYUOEGQBKT-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
2.5
Consensus LogP
2.46
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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