![CAS 2413883-70-0 1-Azaspiro[3.5]nonane-1-carboxylic acid, 7-(hydroxymethyl)-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2413883-70-0.gif)
CAS RN: 2413883-70-0
1-Azaspiro[3.5]nonane-1-carboxylic acid, 7-(hydroxymethyl)-, 1,1-dimethylethyl 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.20260310 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-117816
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: 0.1g, 0.25g, 1g, 5g
- 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.
2413883-70-0 / tert-butyl 7-(hydroxymethyl)-1-azaspiro[3.5]nonane-1-carboxylate
Basic Information
CAS
2413883-70-0
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CCC12CCC(CC2)CO
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-8-14(15)6-4-11(10-16)5-7-14/h11,16H,4-10H2,1-3H3
InChIKey
XQJHVBXNOVTXFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.33
TPSA
49.77
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 2413962-77-1 Benzoic acid, 4,4′-[2,2′-bi-1H-imidazole]-1,1′-diylbis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2413962-77-1.gif)
