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CAS 75317-42-9 N,N’-BIS-(3,5-DICHLORO-PHENYL)-MALONAMIDE molecular structure lightbox
CAS RN: 75317-42-9

N,N’-BIS-(3,5-DICHLORO-PHENYL)-MALONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS75317-42-9
  • Purity/Analytical Methods: >99.0%
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75317-42-9 / N,N'-bis(3,5-dichlorophenyl)propanediamide

Standard CAS: 75317-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75317-42-9
Multi CAS
No
Molecular Formula
C15H10CL4N2O2
Molecular Weight
392.100000
Exact Mass
391.946688
InChI
InChI=1S/C15H10Cl4N2O2/c16-8-1-9(17)4-12(3-8)20-14(22)7-15(23)21-13-5-10(18)2-11(19)6-13/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKey
HTPQMIJQFRJNLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
94.8
TPSA
58.2

LogP / Solubility

WLOGP
5.27
MLOGP
4.66
XLogP3
5.7
Consensus LogP
5.21
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
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)
-1.37

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
2.5

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