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CAS 27387-87-7 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione molecular structure lightbox
CAS RN: 27387-87-7

3-(3,5-dichlorophenyl)imidazolidine-2,4-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27387-87-7
  • Purity/Analytical Methods: >99.0%
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27387-87-7 / 3-(3,5-dichlorophenyl)imidazolidine-2,4-dione

Standard CAS: 27387-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27387-87-7
Multi CAS
No
Molecular Formula
C9H6Cl2N2O2
Molecular Weight
245.060000
Exact Mass
243.980633
SMILES
C1C(=O)N(C(=O)N1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O2/c10-5-1-6(11)3-7(2-5)13-8(14)4-12-9(13)15/h1-3H,4H2,(H,12,15)
InChIKey
OGCORJSEYZKHIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.35
TPSA
49.41

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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
1.5

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