![CAS 1889291-54-6 Spiro[1H-indene-1,5′-oxazolidine]-2′,4′-dione, 5-bromo-2,3-dihydro-3-hydroxy-, (1R,3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1889291-54-6.gif)
CAS RN: 1889291-54-6
Spiro[1H-indene-1,5′-oxazolidine]-2′,4′-dione, 5-bromo-2,3-dihydro-3-hydroxy-, (1R,3R)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1889291-54-6
- Purity/Analytical Methods: >99.0%
1889291-54-6 / (1R,3R)-6-bromo-1-hydroxyspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
Basic Information
CAS
1889291-54-6
Multi CAS
No
Molecular Formula
C11H8BrNO4
Molecular Weight
298.090000
Exact Mass
296.963670
SMILES
C1[C@H](C2=C([C@@]13C(=O)NC(=O)O3)C=CC(=C2)Br)O
InChI
InChI=1S/C11H8BrNO4/c12-5-1-2-7-6(3-5)8(14)4-11(7)9(15)13-10(16)17-11/h1-3,8,14H,4H2,(H,13,15,16)/t8-,11-/m1/s1
InChIKey
ZFGQJQXMVHWYRI-LDYMZIIASA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.02
TPSA
75.63
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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