![CAS 946387-38-8 10-BROMO-3-(4-ETHOXYPHENYL)SPIRO[1,3-THIAZOLIDINE-2,3′-INDOLINE]-4,7-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4196415.gif)
CAS RN: 946387-38-8
10-BROMO-3-(4-ETHOXYPHENYL)SPIRO[1,3-THIAZOLIDINE-2,3′-INDOLINE]-4,7-DIONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS946387-38-8
- Purity/Analytical Methods: >99.0%
946387-38-8 / 5'-bromo-3-(4-ethoxyphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
Basic Information
CAS
946387-38-8
Multi CAS
No
Molecular Formula
BC18H15O3Rn2S
Molecular Weight
419.300000
Exact Mass
417.998680
InChI
InChI=1S/C18H15BrN2O3S/c1-2-24-13-6-4-12(5-7-13)21-16(22)10-25-18(21)14-9-11(19)3-8-15(14)20-17(18)23/h3-9H,2,10H2,1H3,(H,20,23)
InChIKey
UFBVAORQDUAOEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102
TPSA
58.64
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
3.4
Consensus LogP
3.48
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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