![CAS 1341035-13-9 2,6-DIAZA-SPIRO[3.4]OCTANE-2,8-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER 8-ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341035-13-9.gif)
CAS RN: 1341035-13-9
2,6-DIAZA-SPIRO[3.4]OCTANE-2,8-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER 8-ETHYL ESTER
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.20250203 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1341035-13-9
- Purity/Analytical Methods: >99.0%
1341035-13-9 / 2-O-tert-butyl 5-O-ethyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
Basic Information
CAS
1341035-13-9
Multi CAS
No
Molecular Formula
C14H24N2O4
Molecular Weight
284.350000
Exact Mass
284.173607
SMILES
CCOC(=O)C1CNCC12CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O4/c1-5-19-11(17)10-6-15-7-14(10)8-16(9-14)12(18)20-13(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey
VASKQASZGABQFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.23
TPSA
67.87
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
0.6
Consensus LogP
0.84
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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