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CAS 500890-58-4 1-(2-NITRO-PHENYL)-IMIDAZOLIDIN-2-ONE molecular structure lightbox
CAS RN: 500890-58-4

1-(2-NITRO-PHENYL)-IMIDAZOLIDIN-2-ONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 100mg In stock Shanghai Inquiry
Batchno.20260315 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260618 1g In stock Shanghai Inquiry
Batchno.20250322 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS500890-58-4
  • Purity/Analytical Methods: >99.0%
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500890-58-4 / 1-(2-nitrophenyl)imidazolidin-2-one

Standard CAS: 500890-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500890-58-4
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
InChI
InChI=1S/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13)
InChIKey
YBRKPAGSKIHGOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.84
TPSA
75.48

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.19

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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