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CAS 318684-82-1 6,7-difluoroquinolin-3-amine molecular structure lightbox
CAS RN: 318684-82-1

6,7-difluoroquinolin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS318684-82-1
  • Purity/Analytical Methods: >99.0%
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318684-82-1 / 6,7-difluoroquinolin-3-amine

Standard CAS: 318684-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
318684-82-1
Multi CAS
No
Molecular Formula
C9F2H6N2
Molecular Weight
180.150000
Exact Mass
180.049905
InChI
InChI=1S/C9H6F2N2/c10-7-2-5-1-6(12)4-13-9(5)3-8(7)11/h1-4H,12H2
InChIKey
VVGAASDVUGCNTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.07
TPSA
38.91

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.33

Drug-likeness / Medicinal Chemistry

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

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