![CAS 929302-01-2 9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929302-01-2.gif)
CAS RN: 929302-01-2
9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL 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.20251009 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS929302-01-2
- Purity/Analytical Methods: >99.0%
929302-01-2 / tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
Basic Information
CAS
929302-01-2
Multi CAS
No
Molecular Formula
C21H32N2O2
Molecular Weight
344.500000
Exact Mass
344.246378
InChI
InChI=1S/C21H32N2O2/c1-20(2,3)25-19(24)23-15-11-21(12-16-23)9-13-22(14-10-21)17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3
InChIKey
FZQYTCPFYPQYKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
100.43
TPSA
32.78
LogP / Solubility
WLOGP
4.3
MLOGP
3.8
XLogP3
3.7
Consensus LogP
3.93
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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