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CAS 660868-91-7 GW843682, 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide molecular structure lightbox
CAS RN: 660868-91-7

GW843682, 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 5mg / 10mg / 50mg Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS660868-91-7
  • Purity/Analytical Methods: >99.0%
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660868-91-7 / 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

Standard CAS: 660868-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
660868-91-7
Multi CAS
Yes
Molecular Formula
C22F3H18N3O4S
Molecular Weight
477.500000
Exact Mass
477.097012
InChI
InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
InChIKey
JSKUWFIZUALZLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
116.34
TPSA
88.6

LogP / Solubility

WLOGP
4.8
MLOGP
4.26
XLogP3
4.6
Consensus LogP
4.55
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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