![CAS 1251008-89-5 2-Azaspiro[5.5]undecan-2,9-dicarboxylic acid 2-tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251008-89-5.gif)
CAS RN: 1251008-89-5
2-Azaspiro[5.5]undecan-2,9-dicarboxylic acid 2-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.20260129 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251008-89-5
- Purity/Analytical Methods: >99.0%
1251008-89-5 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylic acid
Basic Information
CAS
1251008-89-5
Multi CAS
No
Molecular Formula
C16H27NO4
Molecular Weight
297.390000
Exact Mass
297.194008
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCC(CC2)C(=O)O
InChI
InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-4-7-16(11-17)8-5-12(6-9-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKey
BNJCUGKGUFDPKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.07
TPSA
66.84
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
2.4
Consensus LogP
2.86
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1251008-96-4 8-Benzyl 11-Tert-Butyl 2-Oxo-1,8,11-Triazaspiro[5.6]Dodecane-8,11-Dicarboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-Benzyl 11-Tert-Butyl 2-Oxo-1,8,11-Triazaspiro[5.6]Dodecane-8,11-Dicarboxylate
- CAS RN: 1251008-96-4
- Product Code: starshine_CAS1251008-96-4
- Purity/Analytical method: >99.0%
-
tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
- CAS RN: 1251009-03-6
- Product Code: SSC-029705
-
(3aR,6aR)-Benzylhexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
- CAS RN: 1251009-14-9
- Product Code: SSC-029706
-
1-Amino-3-Aza-Bicyclo[3.2.0]Heptane-3-Carboxylic Acid Tert-Butyl Ester(WX110147)
- CAS RN: 1251009-41-2
- Product Code: SSC-029707
-
2-(tert-Butoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid
- CAS RN: 1251009-46-7
- Product Code: SSC-029708
-
7-Oxa-2-Aza-Spiro[3.5]Nonane-2,5-Dicarboxylic Acid 2-Tert-Butyl Ester
- CAS RN: 1251009-59-2
- Product Code: SSC-029710
![CAS 1251008-96-4 8-Benzyl 11-Tert-Butyl 2-Oxo-1,8,11-Triazaspiro[5.6]Dodecane-8,11-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251008-96-4.gif)
![CAS 1251009-03-6 tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251009-03-6.gif)
![CAS 1251009-14-9 (3aR,6aR)-Benzylhexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251009-14-9.gif)
![CAS 1251009-41-2 1-Amino-3-Aza-Bicyclo[3.2.0]Heptane-3-Carboxylic Acid Tert-Butyl Ester(WX110147) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251009-41-2.gif)
![CAS 1251009-46-7 2-(tert-Butoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251009-46-7.gif)
![CAS 1251009-59-2 7-Oxa-2-Aza-Spiro[3.5]Nonane-2,5-Dicarboxylic Acid 2-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251009-59-2.gif)