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CAS 3584-66-5 5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE molecular structure lightbox
CAS RN: 3584-66-5

5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 1g In stock Inquiry
Batchno.20250714 250mg Out of stock Inquiry
Batchno.20250812 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 100mg / 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3584-66-5
  • Purity/Analytical Methods: >99.0%
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3584-66-5 / 6-chloro-2-(trichloromethyl)-1H-benzimidazole

Standard CAS: 3584-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3584-66-5
Multi CAS
Yes
Molecular Formula
C8H4CL4N2
Molecular Weight
269.900000
Exact Mass
269.909909
InChI
InChI=1S/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
SIZGSKQSWJIWFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.34
TPSA
28.68

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
4.1
Consensus LogP
3.9
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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