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CAS 1394820-98-4 4-(2-fluoro-4-nitrophenoxy)quinolin-7-ol molecular structure lightbox
CAS RN: 1394820-98-4

4-(2-fluoro-4-nitrophenoxy)quinolin-7-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1394820-98-4
  • Purity/Analytical Methods: >99.0%
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1394820-98-4 / 4-(2-fluoro-4-nitrophenoxy)quinolin-7-ol

Standard CAS: 1394820-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394820-98-4
Multi CAS
No
Molecular Formula
C15H9FN2O4
Molecular Weight
300.240000
Exact Mass
300.054635
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)OC2=C3C=CC(=CC3=NC=C2)O
InChI
InChI=1S/C15H9FN2O4/c16-12-7-9(18(20)21)1-4-15(12)22-14-5-6-17-13-8-10(19)2-3-11(13)14/h1-8,19H
InChIKey
ORSCRIJOVRKFEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.54
TPSA
85.49

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.3
Consensus LogP
3.47
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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