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CAS 25373-61-9 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-imidazole molecular structure lightbox
CAS RN: 25373-61-9

1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-imidazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25373-61-9
  • Purity/Analytical Methods: >99.0%
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25373-61-9 / 1-[2-nitro-4-(trifluoromethyl)phenyl]imidazole

Standard CAS: 25373-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25373-61-9
Multi CAS
No
Molecular Formula
C10H6F3N3O2
Molecular Weight
257.170000
Exact Mass
257.041211
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=CN=C2
InChI
InChI=1S/C10H6F3N3O2/c11-10(12,13)7-1-2-8(9(5-7)16(17)18)15-4-3-14-6-15/h1-6H
InChIKey
JSZWGVPOLFJCQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.22
TPSA
60.96

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

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

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