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CAS 23593-71-7 ClotriMazole IMpurity A molecular structure lightbox
CAS RN: 23593-71-7

ClotriMazole IMpurity A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23593-71-7
  • Purity/Analytical Methods: >99.0%
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23593-71-7 / 1-[(4-chlorophenyl)-diphenylmethyl]imidazole

Standard CAS: 23593-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23593-71-7
Multi CAS
No
Molecular Formula
C22H17ClN2
Molecular Weight
344.800000
Exact Mass
344.108026
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C22H17ClN2/c23-21-13-11-20(12-14-21)22(25-16-15-24-17-25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17H
InChIKey
BLNLHAFFGFCSRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
101.84
TPSA
17.82

LogP / Solubility

WLOGP
5.38
MLOGP
4.75
XLogP3
5
Consensus LogP
5.04
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
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
No
Log Kp (skin permeation)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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