CAS RN: 57841-69-7
N-(2-AMINOPHENYL)-2-CHLORONICOTINAMIDE
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.20250528 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57841-69-7
- Purity/Analytical Methods: >99.0%
57841-69-7 / N-(2-aminophenyl)-2-chloropyridine-3-carboxamide
Basic Information
CAS
57841-69-7
Multi CAS
No
Molecular Formula
C12H10CLN3O
Molecular Weight
247.680000
Exact Mass
247.051240
InChI
InChI=1S/C12H10ClN3O/c13-11-8(4-3-7-15-11)12(17)16-10-6-2-1-5-9(10)14/h1-7H,14H2,(H,16,17)
InChIKey
LCSCTFTVNQPHTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.05
TPSA
68.01
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2
Consensus LogP
2.28
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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