CAS RN: 205187-35-5
2614W94
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.20250328 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205187-35-5
- Purity/Analytical Methods: >99.0%
205187-35-5 / 3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide
Basic Information
CAS
205187-35-5
Multi CAS
No
Molecular Formula
C15H11F3O4S
Molecular Weight
344.300000
Exact Mass
344.033014
SMILES
CC(C(F)(F)F)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C15H11F3O4S/c1-9(15(16,17)18)21-10-6-7-14-12(8-10)22-11-4-2-3-5-13(11)23(14,19)20/h2-9H,1H3
InChIKey
ZWKJZNQUILFRHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.55
TPSA
52.6
LogP / Solubility
WLOGP
3.95
MLOGP
3.5
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
CX-157
- CAS RN: 205187-53-7
- Product Code: starshine_CAS205187-53-7
- Purity/Analytical method: >99.0%
-
-
-
-
-
