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CAS 308294-79-3 7-(((6-methylpyridin-2-yl)amino)(4-(trifluoromethyl)phenyl)methyl)quinolin-8-ol molecular structure lightbox
CAS RN: 308294-79-3

7-(((6-methylpyridin-2-yl)amino)(4-(trifluoromethyl)phenyl)methyl)quinolin-8-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS308294-79-3
  • Purity/Analytical Methods: >99.0%
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308294-79-3 / 7-[[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol

Standard CAS: 308294-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
308294-79-3
Multi CAS
No
Molecular Formula
C23F3H18N3O
Molecular Weight
409.400000
Exact Mass
409.140197
InChI
InChI=1S/C23H18F3N3O/c1-14-4-2-6-19(28-14)29-20(16-7-10-17(11-8-16)23(24,25)26)18-12-9-15-5-3-13-27-21(15)22(18)30/h2-13,20,30H,1H3,(H,28,29)
InChIKey
HUHLXTYKRKEJDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.29
TPSA
58.04

LogP / Solubility

WLOGP
5.86
MLOGP
5.19
XLogP3
5.6
Consensus LogP
5.55
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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