![CAS 479636-66-3 1-Oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid, 8-(1,1-diMethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/479636-66-3.gif)
CAS RN: 479636-66-3
1-Oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid, 8-(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.20250307 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-154944
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 |
479636-66-3 / 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Basic Information
CAS
479636-66-3
Multi CAS
Yes
Molecular Formula
C13H20N2O5
Molecular Weight
284.310000
Exact Mass
284.137222
InChI
InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-4-13(5-7-15)8-9(10(16)17)14-20-13/h4-8H2,1-3H3,(H,16,17)
InChIKey
PEQZOGMNNBDAMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.54
TPSA
88.43
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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