![CAS 160596-25-8 Rosiglitazone Related Compound A (25 mg) ((5Z)-5-{[4-({2-[methyl(2-pyridinyl)amino]ethyl}oxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160596-25-8.gif)
CAS RN: 160596-25-8
Rosiglitazone Related Compound A (25 mg) ((5Z)-5-{[4-({2-[methyl(2-pyridinyl)amino]ethyl}oxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS160596-25-8
- Purity/Analytical Methods: >99.0%
160596-25-8 / (5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
160596-25-8
Multi CAS
No
Molecular Formula
C18H17N3O3S
Molecular Weight
355.400000
Exact Mass
355.099063
SMILES
CN(CCOC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)S2)C3=CC=CC=N3
InChI
InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12-
InChIKey
HCDYSWMAMRPMST-QINSGFPZSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
98.55
TPSA
71.53
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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
Yes
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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