![CAS 1273576-64-9 5-Oxa-2,6-Diaza-Spiro[3.4]Oct-6-Ene-2,7-Dicarboxylic Acid 2-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1273576-64-9.gif)
CAS RN: 1273576-64-9
5-Oxa-2,6-Diaza-Spiro[3.4]Oct-6-Ene-2,7-Dicarboxylic Acid 2-Tert-Butyl 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.20250723 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1273576-64-9
- Purity/Analytical Methods: >99.0%
1273576-64-9 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid
Basic Information
CAS
1273576-64-9
Multi CAS
No
Molecular Formula
C11H16N2O5
Molecular Weight
256.250000
Exact Mass
256.105922
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=NO2)C(=O)O
InChI
InChI=1S/C11H16N2O5/c1-10(2,3)17-9(16)13-5-11(6-13)4-7(8(14)15)12-18-11/h4-6H2,1-3H3,(H,14,15)
InChIKey
HSBSFXGYYQDTBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.31
TPSA
88.43
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.3
Consensus LogP
0.63
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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