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CAS 4394-10-9 2-[(4-ETHOXYPHENYL)AMINO]NICOTINIC ACID molecular structure lightbox
CAS RN: 4394-10-9

2-[(4-ETHOXYPHENYL)AMINO]NICOTINIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4394-10-9
  • Purity/Analytical Methods: >99.0%
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4394-10-9 / 2-(4-ethoxyanilino)pyridine-3-carboxylic acid

Standard CAS: 4394-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4394-10-9
Multi CAS
No
Molecular Formula
C14H14N2O3
Molecular Weight
258.270000
Exact Mass
258.100442
InChI
InChI=1S/C14H14N2O3/c1-2-19-11-7-5-10(6-8-11)16-13-12(14(17)18)4-3-9-15-13/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKey
XDQXIFDNJLJUPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.09
TPSA
71.45

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.22

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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