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CAS 57998-96-6 3,4-dihydro-2H-spiro[imidazolidine-4,1-naphthalene]-2,5-dione molecular structure lightbox
CAS RN: 57998-96-6

3,4-dihydro-2H-spiro[imidazolidine-4,1-naphthalene]-2,5-dione

  • Product code: SSC-166186
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 57998-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

57998-96-6 / spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

Standard CAS: 57998-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57998-96-6
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
InChI
InChI=1S/C12H12N2O2/c15-10-12(14-11(16)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15,16)
InChIKey
OZYWLMZRNIFQPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.73
TPSA
58.2

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-3.29

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
3

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