CAS RN: 103787-97-9
BM-131246
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250223 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS103787-97-9
- Purity/Analytical Methods: >99.0%
103787-97-9 / 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
AD-5061 | 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | AD5061
Basic Information
CAS
103787-97-9
Multi CAS
No
Molecular Formula
C22H20N2O4S
Molecular Weight
408.500000
Exact Mass
408.114378
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,19H,11-13H2,1H3,(H,24,25,26)
InChIKey
GUTCYOKMCPFRGH-UHFFFAOYSA-N
Synonyms
AD-5061
5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
AD5061
AD7057
AD 5061
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
110.94
TPSA
81.43
LogP / Solubility
WLOGP
4.17
MLOGP
3.69
XLogP3
4.5
Consensus LogP
4.12
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25
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
3.5
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2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methylene]-
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