CAS RN: 116686-15-8
FK-3311
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.20260129 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS116686-15-8
- Purity/Analytical Methods: >99.0%
116686-15-8 / N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide
FK 3311 | FK-3311 | FK3311
Basic Information
CAS
116686-15-8
Multi CAS
Yes
Molecular Formula
C15H13F2NO4S
Molecular Weight
341.300000
Exact Mass
341.053335
SMILES
CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
InChIKey
DIIYLGZNZGPXRR-UHFFFAOYSA-N
Synonyms
FK 3311
FK-3311
FK3311
SD83Z5YXR6
DTXSID90151474
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.35
TPSA
72.47
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
2.3
Consensus LogP
2.86
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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