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CAS 1855006-12-0 4-[2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yl]oxyanilino]-N-methylpyridine-2-carboxamide molecular structure lightbox
CAS RN: 1855006-12-0

4-[2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yl]oxyanilino]-N-methylpyridine-2-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1855006-12-0
  • Purity/Analytical Methods: >99.0%
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1855006-12-0 / 4-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]-N-methylpyridine-2-carboxamide

Standard CAS: 1855006-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1855006-12-0
Multi CAS
No
Molecular Formula
C20H18FN5O3
Molecular Weight
395.400000
Exact Mass
395.139368
SMILES
CNC(=O)C1=NC=CC(=C1)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F
InChI
InChI=1S/C20H18FN5O3/c1-22-19(27)17-9-12(5-7-24-17)26-16-4-3-13(10-15(16)21)29-14-6-8-25-18(11-14)20(28)23-2/h3-11H,1-2H3,(H,22,27)(H,23,28)(H,24,26)
InChIKey
USLJNRHZMUHXEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
105.01
TPSA
105.24

LogP / Solubility

WLOGP
2.87
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.54
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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