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CAS 318685-41-5 7,8-difluoroquinoline-3-carboxylic acid molecular structure lightbox
CAS RN: 318685-41-5

7,8-difluoroquinoline-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS318685-41-5
  • Purity/Analytical Methods: >99.0%
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318685-41-5 / 7,8-difluoroquinoline-3-carboxylic acid

Standard CAS: 318685-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
318685-41-5
Multi CAS
No
Molecular Formula
C10F2H5NO2
Molecular Weight
209.150000
Exact Mass
209.028835
InChI
InChI=1S/C10H5F2NO2/c11-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)12/h1-4H,(H,14,15)
InChIKey
AMKQPUGRVXSJNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.62
TPSA
50.19

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

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

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