CAS RN: 1133819-87-0
5-(4-(2-(3-METHOXYPHENYL)-2-OXOETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE
Product Availability
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9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1133819-87-0
- Purity/Analytical Methods: >99.0%
1133819-87-0 / 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Azemiglitazone | MSDC-0602 | 81MXZ6QOBM
Basic Information
CAS
1133819-87-0
Multi CAS
No
Molecular Formula
C19H17NO5S
Molecular Weight
371.400000
Exact Mass
371.082744
SMILES
COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)
InChIKey
YAUMOGALQJYOJQ-UHFFFAOYSA-N
Synonyms
Azemiglitazone
MSDC-0602
81MXZ6QOBM
RefChem:159938
MSDC 0602
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.88
TPSA
81.7
LogP / Solubility
WLOGP
2.85
MLOGP
2.53
XLogP3
3.4
Consensus LogP
2.93
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
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)
-2.96
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
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