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CAS 321-70-0 6-(trifluoromethyl)quinolin-8-ol molecular structure lightbox
CAS RN: 321-70-0

6-(trifluoromethyl)quinolin-8-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS321-70-0
  • Purity/Analytical Methods: >99.0%
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321-70-0 / 6-(trifluoromethyl)quinolin-8-ol

Standard CAS: 321-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321-70-0
Multi CAS
No
Molecular Formula
C10F3H6NO
Molecular Weight
213.160000
Exact Mass
213.040148
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-4-6-2-1-3-14-9(6)8(15)5-7/h1-5,15H
InChIKey
YIGZQYRBAXZYOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.41
TPSA
33.12

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-1.92

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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