![CAS 1419590-70-7 7-Oxa-1-azaspiro[4.4]nonane 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419590-70-7.gif)
CAS RN: 1419590-70-7
7-Oxa-1-azaspiro[4.4]nonane 2,2,2-trifluoroacetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1419590-70-7
- Purity/Analytical Methods: >99.0%
1419590-70-7 / 7-oxa-1-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
Basic Information
CAS
1419590-70-7
Multi CAS
No
Molecular Formula
C9H14F3NO3
Molecular Weight
241.210000
Exact Mass
241.092578
SMILES
C1CC2(CCOC2)NC1.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C7H13NO.C2HF3O2/c1-2-7(8-4-1)3-5-9-6-7;3-2(4,5)1(6)7/h8H,1-6H2;(H,6,7)
InChIKey
KFTKMFBFGVUBSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.09
TPSA
58.56
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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