![CAS 2306247-31-2 (2S)-6-tert-butoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2306247-31-2.gif)
CAS RN: 2306247-31-2
(2S)-6-tert-butoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylic acid
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.20251116 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-112124
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2306247-31-2 / (2S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
Basic Information
CAS
2306247-31-2
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-13(5-7-14)8-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKey
ZVMOSXHYOPBSRN-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.22
TPSA
66.84
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
1.4
Consensus LogP
1.79
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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