![CAS 550371-66-9 7-Oxa-2-azaspiro[3.5]nonane, 2-[(4-Methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/550371-66-9.gif)
CAS RN: 550371-66-9
7-Oxa-2-azaspiro[3.5]nonane, 2-[(4-Methylphenyl)sulfonyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS550371-66-9
- Purity/Analytical Methods: >99.0%
550371-66-9 / 2-(4-methylphenyl)sulfonyl-7-oxa-2-azaspiro[3.5]nonane
Basic Information
CAS
550371-66-9
Multi CAS
No
Molecular Formula
C14H19NO3S
Molecular Weight
281.370000
Exact Mass
281.108565
InChI
InChI=1S/C14H19NO3S/c1-12-2-4-13(5-3-12)19(16,17)15-10-14(11-15)6-8-18-9-7-14/h2-5H,6-11H2,1H3
InChIKey
GFFDVVCTQIUJPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.42
TPSA
46.61
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
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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