CAS RN: 475479-34-6
ALEGLITAZAR
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS475479-34-6
- Purity/Analytical Methods: >99.0%
475479-34-6 / 2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid
Basic Information
CAS
475479-34-6
Multi CAS
Yes
Molecular Formula
C24H23NO5S
Molecular Weight
437.500000
Exact Mass
437.129694
InChI
InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)
InChIKey
DAYKLWSKQJBGCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
20
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.84
TPSA
81.79
LogP / Solubility
WLOGP
5.13
MLOGP
4.54
XLogP3
5.1
Consensus LogP
4.92
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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