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CAS 98164-08-0 1-(2,4-DICHLORO-PHENYL)-2-IMIDAZOL-1-YL-ETHANONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 98164-08-0

1-(2,4-DICHLORO-PHENYL)-2-IMIDAZOL-1-YL-ETHANONE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS98164-08-0
  • Purity/Analytical Methods: >99.0%
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98164-08-0 / 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride

Standard CAS: 98164-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98164-08-0
Multi CAS
No
Molecular Formula
C11H9CL3N2O
Molecular Weight
291.600000
Exact Mass
289.978046
InChI
InChI=1S/C11H8Cl2N2O.ClH/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;/h1-5,7H,6H2;1H
InChIKey
XCZWBNAWVGVDAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.27
TPSA
34.89

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.49
Consensus LogP
3.36
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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