![CAS 1268520-63-3 7-[(TERT-BUTOXY)CARBONYL]-1-OXA-7-AZASPIRO[4.4]NONANE-2-CARBOXYLIC ACID(WX102180) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-63-3.gif)
CAS RN: 1268520-63-3
7-[(TERT-BUTOXY)CARBONYL]-1-OXA-7-AZASPIRO[4.4]NONANE-2-CARBOXYLIC ACID(WX102180)
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.20251112 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1268520-63-3
- Purity/Analytical Methods: >99.0%
1268520-63-3 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-7-azaspiro[4.4]nonane-2-carboxylic acid
Basic Information
CAS
1268520-63-3
Multi CAS
No
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(O2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-6-13(8-14)5-4-9(18-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
MSDHAJLDASVPDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.9
TPSA
76.07
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1268520-70-2 (3R,4R)-1-[(tert-butoxy)carbonyl]-4-ethylpyrrolidine-3-carboxyli molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-ethylpyrrolidine-3-carboxyli
- CAS RN: 1268520-70-2
- Product Code: SSC-034101
-
5-tert-butyl 7-ethyl 5-azaspiro[2.4]heptane-5,7-dicarboxylate
- CAS RN: 1268520-72-4
- Product Code: SSC-034102
-
4-Chloropyrazolo[1,5-a]pyridine-7-carbonitrile
- CAS RN: 1268520-74-6
- Product Code: SSC-034103
-
4-chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1268520-92-8
- Product Code: SSC-034105
-
5-chloro-3-methylimidazo[1,2-a]pyridine-2-carboxylic acid
- CAS RN: 1268520-94-0
- Product Code: starshine_CAS1268520-94-0
- Purity/Analytical method: >99.0%
-
tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbaMate
- CAS RN: 1268520-95-1
- Product Code: SSC-034106
![CAS 1268520-70-2 (3R,4R)-1-[(tert-butoxy)carbonyl]-4-ethylpyrrolidine-3-carboxyli molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-70-2.gif)
![CAS 1268520-72-4 5-tert-butyl 7-ethyl 5-azaspiro[2.4]heptane-5,7-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-72-4.gif)
![CAS 1268520-74-6 4-Chloropyrazolo[1,5-a]pyridine-7-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-74-6.gif)
![CAS 1268520-92-8 4-chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-92-8.gif)
![CAS 1268520-94-0 5-chloro-3-methylimidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-94-0.gif)
![CAS 1268520-95-1 tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-95-1.gif)