CAS RN: 1432323-27-7
4-Bromo-8-methyl-1,5-naphthyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB893413
1432323-27-7 / 4-bromo-8-methyl-1,5-naphthyridine
Basic Information
CAS
1432323-27-7
Multi CAS
No
Molecular Formula
C9H7BrN2
Molecular Weight
223.070000
Exact Mass
221.979260
SMILES
CC1=C2C(=NC=C1)C(=CC=N2)Br
InChI
InChI=1S/C9H7BrN2/c1-6-2-4-12-9-7(10)3-5-11-8(6)9/h2-5H,1H3
InChIKey
RCWVZPCMTYJNGG-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
51.98
TPSA
25.78
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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