![CAS 718632-43-0 TERT-BUTYL 6-CYANO-7-OXO-4-AZASPIRO[2.4]HEPTANE-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/718632-43-0.gif)
CAS RN: 718632-43-0
TERT-BUTYL 6-CYANO-7-OXO-4-AZASPIRO[2.4]HEPTANE-4-CARBOXYLATE
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.20250922 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-181406
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
718632-43-0 / tert-butyl 6-cyano-7-oxo-4-azaspiro[2.4]heptane-4-carboxylate
Basic Information
CAS
718632-43-0
Multi CAS
No
Molecular Formula
C12H16N2O3
Molecular Weight
236.270000
Exact Mass
236.116092
InChI
InChI=1S/C12H16N2O3/c1-11(2,3)17-10(16)14-7-8(6-13)9(15)12(14)4-5-12/h8H,4-5,7H2,1-3H3
InChIKey
DNIYOGZTRAUIBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.02
TPSA
70.4
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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