![CAS 1352925-36-0 4-Benzyl-9-Methyl-1-oxa-4,9-diazaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352925-36-0.gif)
CAS RN: 1352925-36-0
4-Benzyl-9-Methyl-1-oxa-4,9-diazaspiro[5.5]undecane
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.20250622 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1352925-36-0
- Purity/Analytical Methods: >99.0%
1352925-36-0 / 4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
Basic Information
CAS
1352925-36-0
Multi CAS
No
Molecular Formula
C16H24N2O
Molecular Weight
260.370000
Exact Mass
260.188863
SMILES
CN1CCC2(CC1)CN(CCO2)CC3=CC=CC=C3
InChI
InChI=1S/C16H24N2O/c1-17-9-7-16(8-10-17)14-18(11-12-19-16)13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKey
KFBKPIVODDPZQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
77.13
TPSA
15.71
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.84
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.9
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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