![CAS 135380-52-8 7-BENZYL-2,7-DIAZASPIRO[3.5]NONANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135380-52-8.gif)
CAS RN: 135380-52-8
7-BENZYL-2,7-DIAZASPIRO[3.5]NONANE
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.20251002 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS135380-52-8
- Purity/Analytical Methods: >99.0%
135380-52-8 / 7-benzyl-2,7-diazaspiro[3.5]nonane
Basic Information
CAS
135380-52-8
Multi CAS
No
Molecular Formula
C14H20N2
Molecular Weight
216.320000
Exact Mass
216.162649
SMILES
C1CN(CCC12CNC2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14/h1-5,15H,6-12H2
InChIKey
SSKGDQBPVMFYNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.26
TPSA
15.27
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.71
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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