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CAS 2301-40-8 3-Benzylimidazolidine-2,4-dione molecular structure lightbox
CAS RN: 2301-40-8

3-Benzylimidazolidine-2,4-dione

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251213 100mg Out of stock Inquiry
Batchno.20251018 250mg Out of stock Inquiry
  • Product code: starshine_CAS2301-40-8
  • Purity/Analytical Methods: >99.0%
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2301-40-8 / 3-benzylimidazolidine-2,4-dione

Standard CAS: 2301-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2301-40-8
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
C1C(=O)N(C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C10H10N2O2/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKey
AODAEDMAPRQATI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.39
TPSA
49.41

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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