![CAS 448920-97-6 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/448920-97-6.gif)
CAS RN: 448920-97-6
6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile
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.20251216 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS448920-97-6
- Purity/Analytical Methods: >99.0%
448920-97-6 / 6-(3-chloro-4-fluorobenzoyl)-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile
Basic Information
CAS
448920-97-6
Multi CAS
Yes
Molecular Formula
C14H12CLFN2O2
Molecular Weight
294.710000
Exact Mass
294.057134
InChI
InChI=1S/C14H12ClFN2O2/c15-10-7-9(1-2-11(10)16)13(19)18-5-3-14(4-6-18)12(8-17)20-14/h1-2,7,12H,3-6H2
InChIKey
MOKQWCBSDJFHJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.76
TPSA
56.63
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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