![CAS 58324-92-8 3,7-Diazabicyclo[3.3.1]nonan-9-one, 3-methyl-7-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58324-92-8.gif)
CAS RN: 58324-92-8
3,7-Diazabicyclo[3.3.1]nonan-9-one, 3-methyl-7-(phenylmethyl)-
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.20250331 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58324-92-8
- Purity/Analytical Methods: >99.0%
58324-92-8 / 3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Basic Information
CAS
58324-92-8
Multi CAS
No
Molecular Formula
C15H20N2O
Molecular Weight
244.330000
Exact Mass
244.157563
InChI
InChI=1S/C15H20N2O/c1-16-8-13-10-17(11-14(9-16)15(13)18)7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKey
QKANPQSBUFNOGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.2
TPSA
23.55
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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