![CAS 1346229-41-1 3-Azaspiro[5.5]undecane-9-acetic acid, 3-[(1,1-diMethylethoxy)carbonyl]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346229-41-1.gif)
CAS RN: 1346229-41-1
3-Azaspiro[5.5]undecane-9-acetic acid, 3-[(1,1-diMethylethoxy)carbonyl]-, Methyl 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.20250426 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1346229-41-1
- Purity/Analytical Methods: >99.0%
1346229-41-1 / tert-butyl 9-(2-methoxy-2-oxoethyl)-3-azaspiro[5.5]undecane-3-carboxylate
Basic Information
CAS
1346229-41-1
Multi CAS
No
Molecular Formula
C18H31NO4
Molecular Weight
325.400000
Exact Mass
325.225308
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)CC(=O)OC)CC1
InChI
InChI=1S/C18H31NO4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)7-5-14(6-8-18)13-15(20)22-4/h14H,5-13H2,1-4H3
InChIKey
VEYMCZKGXQGOPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
88.07
TPSA
55.84
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.7
Consensus LogP
3.59
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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)
-2.04
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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