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CAS 362519-49-1 3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N’-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide molecular structure lightbox
CAS RN: 362519-49-1

3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N’-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINC899794
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362519-49-1 / 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

Standard CAS: 362519-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362519-49-1
Multi CAS
Yes
Molecular Formula
C23H20CL2N4O2S
Molecular Weight
487.400000
Exact Mass
486.068403
InChI
InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
InChIKey
AXJQVVLKUYCICH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
129.01
TPSA
74.13

LogP / Solubility

WLOGP
4.76
MLOGP
4.22
XLogP3
5.3
Consensus LogP
4.76
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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