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CAS 106791-37-1 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-METHYLSULFONYL-1H-BENZIMIDAZOLE molecular structure lightbox
CAS RN: 106791-37-1

5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-METHYLSULFONYL-1H-BENZIMIDAZOLE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106791-37-1
  • Purity/Analytical Methods: >99.0%
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106791-37-1 / 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole

Triclabendazole sulfone | 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole | D7KM923JRE

Standard CAS: 106791-37-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106791-37-1
Multi CAS
Yes
Molecular Formula
C14H9Cl3N2O3S
Molecular Weight
391.700000
Exact Mass
389.939946
SMILES
CS(=O)(=O)C1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2O3S/c1-23(20,21)14-18-9-5-8(16)12(6-10(9)19-14)22-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
InChIKey
ZEIHWBIRYIXBSV-UHFFFAOYSA-N
Synonyms
Triclabendazole sulfone 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfonyl-1H-benzimidazole D7KM923JRE Triclabendazole metabolite M9 CGA274204

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.75
TPSA
72.05

LogP / Solubility

WLOGP
4.72
MLOGP
4.18
XLogP3
4.5
Consensus LogP
4.47
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.76

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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