![CAS 871727-04-7 6-tert-butyl 1-methyl 6-azaspiro[2.5]octane-1,6-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871727-04-7.gif)
CAS RN: 871727-04-7
6-tert-butyl 1-methyl 6-azaspiro[2.5]octane-1,6-dicarboxylate
- Product code: SSC-196828
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 | Shenzhen | Inquiry |
871727-04-7 / 6-O-tert-butyl 2-O-methyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
Basic Information
CAS
871727-04-7
Multi CAS
Yes
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)9-10(14)11(16)18-4/h10H,5-9H2,1-4H3
InChIKey
QIDLMMIRAHZFAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.6
TPSA
55.84
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.8
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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