CAS RN: 53933-60-1
SULINDAC RELATED COMPOUND A (20 MG) (TRANS-SULINDAC)
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.20260130 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53933-60-1
- Purity/Analytical Methods: >99.0%
53933-60-1 / 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
Basic Information
CAS
53933-60-1
Multi CAS
Yes
Molecular Formula
C20FH17O3S
Molecular Weight
356.400000
Exact Mass
356.088244
InChI
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey
MLKXDPUZXIRXEP-RQZCQDPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
97.89
TPSA
54.37
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
3.4
Consensus LogP
3.88
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79
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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- CAS RN: 53939-27-8
- Product Code: starshine_CAS53939-27-8
- Purity/Analytical method: >99.0%
