![CAS 1259489-92-3 2-Azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259489-92-3.gif)
CAS RN: 1259489-92-3
2-Azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester
- Product code: SSC-031325
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1259489-92-3 / tert-butyl 2-azaspiro[3.3]heptane-2-carboxylate
Basic Information
CAS
1259489-92-3
Multi CAS
No
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC2
InChI
InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-7-11(8-12)5-4-6-11/h4-8H2,1-3H3
InChIKey
URTIXDXQQGKKNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.09
TPSA
29.54
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1259489-95-6 9-Oxa-2-azaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
9-Oxa-2-azaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester
- CAS RN: 1259489-95-6
- Product Code: starshine_CAS1259489-95-6
- Purity/Analytical method: >99.0%
-
tert-butyl methyl[(2R)-pyrrolidin-2-ylmethyl]carbamate
- CAS RN: 1259509-27-7
- Product Code: SSC-031326
-
methyl 2-(5-bromo-3-nitropyridin-2-yl)acetate
- CAS RN: 1259512-09-8
- Product Code: SSC-031327
-
6-bromo-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
- CAS RN: 1259512-11-2
- Product Code: SSC-031328
-
trans 4-DiMethylaMinocrotonic Acid-d6 Hydrochloride
- CAS RN: 1259519-59-9
- Product Code: starshine_CAS1259519-59-9
- Purity/Analytical method: >99.0%
-
![CAS 1259489-95-6 9-Oxa-2-azaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259489-95-6.gif)
![CAS 1259509-27-7 tert-butyl methyl[(2R)-pyrrolidin-2-ylmethyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259509-27-7.gif)
![CAS 1259512-11-2 6-bromo-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259512-11-2.gif)
