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CAS 59864-04-9 SULINDAC SULFONE molecular structure lightbox
CAS RN: 59864-04-9

SULINDAC SULFONE

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 100mg In stock Shanghai Inquiry
Batchno.20260414 10mg In stock Shanghai Inquiry
Batchno.20260126 250mg In stock Shanghai Inquiry
Batchno.20250922 25mg In stock Shanghai Inquiry
Batchno.20260331 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS59864-04-9
  • Purity/Analytical Methods: >99.0%
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59864-04-9 / 2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid

Standard CAS: 59864-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59864-04-9
Multi CAS
Yes
Molecular Formula
C20FH17O4S
Molecular Weight
372.400000
Exact Mass
372.083158
InChI
InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)
InChIKey
MVGSNCBCUWPVDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.67
TPSA
71.44

LogP / Solubility

WLOGP
4.03
MLOGP
3.57
XLogP3
3.5
Consensus LogP
3.7
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

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)
-2.13

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
2.5

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