CAS RN: 446299-80-5
N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide
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.20250116 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS446299-80-5
- Purity/Analytical Methods: >99.0%
446299-80-5 / N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide
Basic Information
CAS
446299-80-5
Multi CAS
No
Molecular Formula
BC14H13ORn2
Molecular Weight
305.170000
Exact Mass
304.021130
InChI
InChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKey
CSOQEDDCMIREKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.85
TPSA
33.2
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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