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CAS 83474-08-2 Fenmetozole (Tosylate) molecular structure lightbox
CAS RN: 83474-08-2

Fenmetozole (Tosylate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS83474-08-2
  • Purity/Analytical Methods: >99.0%
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83474-08-2 / 2-[(3,4-dichlorophenoxy)methyl]-4,5-dihydro-1H-imidazole;4-methylbenzenesulfonic acid

Standard CAS: 83474-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83474-08-2
Multi CAS
No
Molecular Formula
C17H18CL2N2O4S
Molecular Weight
417.300000
Exact Mass
416.036434
InChI
InChI=1S/C10H10Cl2N2O.C7H8O3S/c11-8-2-1-7(5-9(8)12)15-6-10-13-3-4-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5H,3-4,6H2,(H,13,14);2-5H,1H3,(H,8,9,10)
InChIKey
KODARPNFXMZRIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.26
TPSA
87.99

LogP / Solubility

WLOGP
3.62
MLOGP
3.21
XLogP3
3.62
Consensus LogP
3.48
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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