![CAS 1160245-66-8 9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160245-66-8.gif)
CAS RN: 1160245-66-8
9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-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.20251128 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160245-66-8
- Purity/Analytical Methods: >99.0%
1160245-66-8 / 9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one
9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one | MFCD12028465 | 6-oxa-9-azaspiro[3.6]decan-8-one, 9-(phenylmethyl)-
Basic Information
CAS
1160245-66-8
Multi CAS
No
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
SMILES
C1CC2(C1)CN(C(=O)COC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c17-14-10-18-12-15(7-4-8-15)11-16(14)9-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
FABJPZMJWOYBRW-UHFFFAOYSA-N
Synonyms
9-benzyl-6-oxa-9-azaspiro[3.6]decan-8-one
MFCD12028465
6-oxa-9-azaspiro[3.6]decan-8-one, 9-(phenylmethyl)-
DTXSID701231021
ALBB-010155
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.96
TPSA
29.54
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2
Consensus LogP
2.06
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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