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CAS 1261269-78-6 3-fluoroquinoline-4-carbaldehyde molecular structure lightbox
CAS RN: 1261269-78-6

3-fluoroquinoline-4-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1261269-78-6
  • Purity/Analytical Methods: >99.0%
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1261269-78-6 / 3-fluoroquinoline-4-carbaldehyde

Standard CAS: 1261269-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261269-78-6
Multi CAS
No
Molecular Formula
C10H6FNO
Molecular Weight
175.160000
Exact Mass
175.043342
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)F)C=O
InChI
InChI=1S/C10H6FNO/c11-9-5-12-10-4-2-1-3-7(10)8(9)6-13/h1-6H
InChIKey
UQWORFGWYGKZNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.09
TPSA
29.96

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

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

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