![CAS 1779396-21-2 Tert-Butyl 8-Hydroxy-5-Oxa-2-Azaspiro[3.5]Nonane-2-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1779396-21-2.gif)
CAS RN: 1779396-21-2
Tert-Butyl 8-Hydroxy-5-Oxa-2-Azaspiro[3.5]Nonane-2-Carboxylate
- Product code: SSC-077803
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1779396-21-2 / tert-butyl 8-hydroxy-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
Basic Information
CAS
1779396-21-2
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CCO2)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)6-9(14)4-5-16-12/h9,14H,4-8H2,1-3H3
InChIKey
MARFMSGANKPOFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.73
TPSA
59
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1779413-16-9 Tert-Butyl 4-Amino-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate(WX101856) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Tert-Butyl 4-Amino-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate(WX101856)
- CAS RN: 1779413-16-9
- Product Code: SSC-077811
-
methyl 6-fluoroindoline-2-carboxylate
- CAS RN: 1779447-03-8
- Product Code: starshine_CAS1779447-03-8
- Purity/Analytical method: >99.0%
-
1,3-piperidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-methyl ester
- CAS RN: 1779450-04-2
- Product Code: SSC-077822
-
Chloro(1-t-butylindenyl)palladium(II) dimer
- CAS RN: 1779569-01-5
- Product Code: SSC-077838
-
-
4,4-difluoropyrrolidine-3-carboxylic acid hydrochloride(WXFC0858S1)
- CAS RN: 1779788-81-6
- Product Code: SSC-077874
![CAS 1779413-16-9 Tert-Butyl 4-Amino-1-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate(WX101856) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1779413-16-9.gif)
