![CAS 1889290-53-2 (S)-5′-Bromo-2′,3′-dihydrospiro[imidazolidine-4,1′-indene]-2,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1889290-53-2.gif)
CAS RN: 1889290-53-2
(S)-5′-Bromo-2′,3′-dihydrospiro[imidazolidine-4,1′-indene]-2,5-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1889290-53-2
- Purity/Analytical Methods: >99.0%
1889290-53-2 / (3S)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
Basic Information
CAS
1889290-53-2
Multi CAS
No
Molecular Formula
C11H9BrN2O2
Molecular Weight
281.100000
Exact Mass
279.984740
SMILES
C1C[C@]2(C3=C1C=C(C=C3)Br)C(=O)NC(=O)N2
InChI
InChI=1S/C11H9BrN2O2/c12-7-1-2-8-6(5-7)3-4-11(8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
InChIKey
VSAYNERGILLODM-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.82
TPSA
58.2
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
1.6
Consensus LogP
1.43
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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