CAS RN: 21243-15-2
7-fluorothiochroman-4-one
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.20251222 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21243-15-2
- Purity/Analytical Methods: >99.0%
21243-15-2 / 7-fluoro-2,3-dihydrothiochromen-4-one
Basic Information
CAS
21243-15-2
Multi CAS
No
Molecular Formula
C9H7FOS
Molecular Weight
182.220000
Exact Mass
182.020164
SMILES
C1CSC2=C(C1=O)C=CC(=C2)F
InChI
InChI=1S/C9H7FOS/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
InChIKey
GXOONQDUSVYOIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
46.07
TPSA
17.07
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 21248-00-0
- Product Code: starshine_CAS21248-00-0
- Purity/Analytical method: >99.0%
