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CAS 284462-86-8 4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide molecular structure lightbox
CAS RN: 284462-86-8

4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS284462-86-8
  • Purity/Analytical Methods: >99.0%
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284462-86-8 / 4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide

Standard CAS: 284462-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
284462-86-8
Multi CAS
No
Molecular Formula
C14H15N3O2
Molecular Weight
257.290000
Exact Mass
257.116427
InChI
InChI=1S/C14H15N3O2/c1-17(2)14(18)13-9-12(7-8-16-13)19-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3
InChIKey
KFFKMBWNWNRVEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.18
TPSA
68.45

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
1.5
Consensus LogP
1.86
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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