![CAS 1638766-90-1 2-AZA-SPIRO[3.4]OCT-6-ENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638766-90-1.gif)
CAS RN: 1638766-90-1
2-AZA-SPIRO[3.4]OCT-6-ENE
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.20250912 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1638766-90-1
- Purity/Analytical Methods: >99.0%
1638766-90-1 / 2-azaspiro[3.4]oct-6-ene
Basic Information
CAS
1638766-90-1
Multi CAS
No
Molecular Formula
C7H11N
Molecular Weight
109.170000
Exact Mass
109.089149
SMILES
C1C=CCC12CNC2
InChI
InChI=1S/C7H11N/c1-2-4-7(3-1)5-8-6-7/h1-2,8H,3-6H2
InChIKey
BFMYMAQNEGMNSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.71
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.68
TPSA
12.03
LogP / Solubility
WLOGP
0.93
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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