CAS RN: 64009-84-3

1H-Imidazole,1-[2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butyl]-

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Batchno.20260621 10mg / 25mg / 100mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS64009-84-3
  • Purity/Analytical Methods: >99.0%
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64009-84-3 / 1-[2-(2,4-dichlorophenyl)-4-(4-fluorophenoxy)butyl]imidazole

Standard CAS: 64009-84-3 Multi CAS: No

Basic Information

CAS
64009-84-3
Multi CAS
No
Molecular Formula
C19H17CL2FN2O
Molecular Weight
379.300000
Exact Mass
378.070197
InChI
InChI=1S/C19H17Cl2FN2O/c20-15-1-6-18(19(21)11-15)14(12-24-9-8-23-13-24)7-10-25-17-4-2-16(22)3-5-17/h1-6,8-9,11,13-14H,7,10,12H2
InChIKey
FHKXBOJPHOEMQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.94
TPSA
27.05

LogP / Solubility

WLOGP
5.58
MLOGP
4.93
XLogP3
5.1
Consensus LogP
5.2
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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)
-1.07

Drug-likeness / Medicinal Chemistry

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

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