CAS RN: 835619-41-5
Indeglitazar
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260321 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS835619-41-5
- Purity/Analytical Methods: >99.0%
835619-41-5 / 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid
Basic Information
CAS
835619-41-5
Multi CAS
Yes
Molecular Formula
C19H19NO6S
Molecular Weight
389.400000
Exact Mass
389.093309
InChI
InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
InChIKey
YMPALHOKRBVHOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
100.02
TPSA
94.83
LogP / Solubility
WLOGP
2.91
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 835632-31-0 ethyl 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/835632-31-0.gif)
