![CAS 155425-87-9 3-(4-ETHOXYPHENYL)SPIRO[1,3-THIAZOLIDINE-2,3′-INDOLINE]-4,7-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7263051.gif)
CAS RN: 155425-87-9
3-(4-ETHOXYPHENYL)SPIRO[1,3-THIAZOLIDINE-2,3′-INDOLINE]-4,7-DIONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250704 | 2g / 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS155425-87-9
- Purity/Analytical Methods: >99.0%
155425-87-9 / 3-(4-ethoxyphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
Basic Information
CAS
155425-87-9
Multi CAS
No
Molecular Formula
C18H16N2O3S
Molecular Weight
340.400000
Exact Mass
340.088164
SMILES
CCOC1=CC=C(C=C1)N2C(=O)CSC23C4=CC=CC=C4NC3=O
InChI
InChI=1S/C18H16N2O3S/c1-2-23-13-9-7-12(8-10-13)20-16(21)11-24-18(20)14-5-3-4-6-15(14)19-17(18)22/h3-10H,2,11H2,1H3,(H,19,22)
InChIKey
LQJSLCGBPXERQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.3
TPSA
58.64
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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