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CAS 878533-35-8 1,3-bis(4-Bromophenyl)-5-phenyl-2,4-imidazolidinedione molecular structure lightbox
CAS RN: 878533-35-8

1,3-bis(4-Bromophenyl)-5-phenyl-2,4-imidazolidinedione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS878533-35-8
  • Purity/Analytical Methods: >99.0%
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878533-35-8 / 1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione

Standard CAS: 878533-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
878533-35-8
Multi CAS
No
Molecular Formula
C21H14BR2N2O2
Molecular Weight
486.200000
Exact Mass
485.940150
InChI
InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,19H
InChIKey
ROASQEPZAKGACK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
112.83
TPSA
40.62

LogP / Solubility

WLOGP
5.93
MLOGP
5.25
XLogP3
5.5
Consensus LogP
5.56
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.48

Drug-likeness / Medicinal Chemistry

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

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