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CAS 937392-56-8 N-(5-Amino-2-chlorophenyl)nicotinamide molecular structure lightbox
CAS RN: 937392-56-8

N-(5-Amino-2-chlorophenyl)nicotinamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS937392-56-8
  • Purity/Analytical Methods: >99.0%
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937392-56-8 / N-(5-amino-2-chlorophenyl)pyridine-3-carboxamide

Standard CAS: 937392-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937392-56-8
Multi CAS
No
Molecular Formula
C12H10CLN3O
Molecular Weight
247.680000
Exact Mass
247.051240
InChI
InChI=1S/C12H10ClN3O/c13-10-4-3-9(14)6-11(10)16-12(17)8-2-1-5-15-7-8/h1-7H,14H2,(H,16,17)
InChIKey
OXNMMVMUUDIASW-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
1.8
Consensus LogP
2.21
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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