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CAS 1237745-91-3 4,8-Dichloro-7-methoxy-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinoline molecular structure lightbox
CAS RN: 1237745-91-3

4,8-Dichloro-7-methoxy-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg Out of stock 15 business days Inquiry
  • Product code: LIND929596
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1237745-91-3 / 2-(4,8-dichloro-7-methoxyquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

Standard CAS: 1237745-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1237745-91-3
Multi CAS
No
Molecular Formula
C14H7Cl2F3N2OS
Molecular Weight
379.200000
Exact Mass
377.960824
SMILES
COC1=C(C2=C(C=C1)C(=CC(=N2)C3=NC(=CS3)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H7Cl2F3N2OS/c1-22-9-3-2-6-7(15)4-8(20-12(6)11(9)16)13-21-10(5-23-13)14(17,18)19/h2-5H,1H3
InChIKey
HJTXJWVDZYBCBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
84.42
TPSA
35.01

LogP / Solubility

WLOGP
5.69
MLOGP
5.03
XLogP3
5.1
Consensus LogP
5.27
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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