CAS RN: 205187-53-7
CX-157
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.20260307 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205187-53-7
- Purity/Analytical Methods: >99.0%
205187-53-7 / 3-fluoro-7-(2,2,2-trifluoroethoxy)phenoxathiine 10,10-dioxide
Basic Information
CAS
205187-53-7
Multi CAS
No
Molecular Formula
C14H8F4O4S
Molecular Weight
348.270000
Exact Mass
348.007943
SMILES
C1=CC2=C(C=C1OCC(F)(F)F)OC3=C(S2(=O)=O)C=CC(=C3)F
InChI
InChI=1S/C14H8F4O4S/c15-8-1-3-12-10(5-8)22-11-6-9(21-7-14(16,17)18)2-4-13(11)23(12,19)20/h1-6H,7H2
InChIKey
PDIMOTRDGUQMNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.92
TPSA
52.6
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
3.5
Consensus LogP
3.5
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
