![CAS 1227384-86-2 6-((4-fluorophenyl)sulfonyl)-2-oxa-6-azaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227384-86-2.gif)
CAS RN: 1227384-86-2
6-((4-fluorophenyl)sulfonyl)-2-oxa-6-azaspiro[3.3]heptane
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.20250516 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1227384-86-2
- Purity/Analytical Methods: >99.0%
1227384-86-2 / 6-(4-fluorophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
Basic Information
CAS
1227384-86-2
Multi CAS
No
Molecular Formula
C11H12FNO3S
Molecular Weight
257.280000
Exact Mass
257.052193
SMILES
C1C2(CN1S(=O)(=O)C3=CC=C(C=C3)F)COC2
InChI
InChI=1S/C11H12FNO3S/c12-9-1-3-10(4-2-9)17(14,15)13-5-11(6-13)7-16-8-11/h1-4H,5-8H2
InChIKey
SZODLTIQYXCTNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.41
TPSA
46.61
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.77
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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