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CAS 137595-46-1 Quinoline, 6-fluoro-3-methyl- (9CI) molecular structure lightbox
CAS RN: 137595-46-1

Quinoline, 6-fluoro-3-methyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS137595-46-1
  • Purity/Analytical Methods: >99.0%
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137595-46-1 / 6-fluoro-3-methylquinoline

Standard CAS: 137595-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137595-46-1
Multi CAS
No
Molecular Formula
C10H8FN
Molecular Weight
161.180000
Exact Mass
161.064077
SMILES
CC1=CC2=C(C=CC(=C2)F)N=C1
InChI
InChI=1S/C10H8FN/c1-7-4-8-5-9(11)2-3-10(8)12-6-7/h2-6H,1H3
InChIKey
QTNYSGFNNRTXNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
46.44
TPSA
12.89

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.8

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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