![CAS 1889290-55-4 Spiro[imidazolidine-4,1′-[1H]indene]-2,3′,5(2’H)-trione, 5′-bromo-, (1’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1889290-55-4.gif)
CAS RN: 1889290-55-4
Spiro[imidazolidine-4,1′-[1H]indene]-2,3′,5(2’H)-trione, 5′-bromo-, (1’S)-
- Product code: SSC-088025
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1889290-55-4 / (3S)-6-bromospiro[2H-indene-3,5'-imidazolidine]-1,2',4'-trione
Basic Information
CAS
1889290-55-4
Multi CAS
No
Molecular Formula
C11H7BrN2O3
Molecular Weight
295.090000
Exact Mass
293.964000
SMILES
C1C(=O)C2=C([C@]13C(=O)NC(=O)N3)C=CC(=C2)Br
InChI
InChI=1S/C11H7BrN2O3/c12-5-1-2-7-6(3-5)8(15)4-11(7)9(16)13-10(17)14-11/h1-3H,4H2,(H2,13,14,16,17)/t11-/m0/s1
InChIKey
MWDLWLPHIPRYNP-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.44
TPSA
75.27
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
0.6
Consensus LogP
0.87
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.76
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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