![CAS 1330764-28-7 2-(Cbz-amino)-7-azaspiro[3.5]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1330764-28-7.gif)
CAS RN: 1330764-28-7
2-(Cbz-amino)-7-azaspiro[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.20260622 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1330764-28-7
- Purity/Analytical Methods: >99.0%
1330764-28-7 / benzyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
Basic Information
CAS
1330764-28-7
Multi CAS
No
Molecular Formula
C16H22N2O2
Molecular Weight
274.360000
Exact Mass
274.168128
SMILES
C1CNCCC12CC(C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O2/c19-15(20-12-13-4-2-1-3-5-13)18-14-10-16(11-14)6-8-17-9-7-16/h1-5,14,17H,6-12H2,(H,18,19)
InChIKey
DBBUHDLXDJCBDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.32
TPSA
50.36
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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