![CAS 553680-99-2 5-BROMO-2,3-DIHYDROSPIRO[IMIDAZOLIDINE-4,1-INDENE]-2,5-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB44013729.gif)
CAS RN: 553680-99-2
5-BROMO-2,3-DIHYDROSPIRO[IMIDAZOLIDINE-4,1-INDENE]-2,5-DIONE
- Product code: SSC-163265
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
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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
553680-99-2 / 6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
Basic Information
CAS
553680-99-2
Multi CAS
No
Molecular Formula
BC11H9O2Rn2
Molecular Weight
281.100000
Exact Mass
279.984740
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)
InChIKey
VSAYNERGILLODM-UHFFFAOYSA-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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