![CAS 1250994-08-1 Trans-Tert-Butyl3-Oxohexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250994-08-1.gif)
CAS RN: 1250994-08-1
Trans-Tert-Butyl3-Oxohexahydropyrrolo[3,4-B][1,4]Oxazine-6(2H)-Carboxylate
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.20250414 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250994-08-1
- Purity/Analytical Methods: >99.0%
1250994-08-1 / tert-butyl (4aR,7aR)-3-oxo-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
Basic Information
CAS
1250994-08-1
Multi CAS
No
Molecular Formula
C11H18N2O4
Molecular Weight
242.270000
Exact Mass
242.126657
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)OCC(=O)N2
InChI
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)13-4-7-8(5-13)16-6-9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChIKey
YDGKPNUYHUQQDS-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.48
TPSA
67.87
LogP / Solubility
WLOGP
0.12
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1250994-14-9 tert-butyl 2-oxo-8-azaspiro[4.5]decane-8-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 2-oxo-8-azaspiro[4.5]decane-8-carboxylate
- CAS RN: 1250994-14-9
- Product Code: SSC-029624
-
4-Amino-1-Oxa-9-Aza-Spiro[5.5]Undecane-9-Carboxylic Acid Tert-Butyl Ester(WX100542)
- CAS RN: 1250994-52-5
- Product Code: SSC-029625
-
3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
- CAS RN: 1250995-41-5
- Product Code: SSC-029626
-
tert-butyl N-{2-azabicyclo[2.2.1]heptan-7-yl}carbaMate
- CAS RN: 1250995-45-9
- Product Code: starshine_CAS1250995-45-9
- Purity/Analytical method: >99.0%
-
Tert-Butyl 2,3-Bipiperidine-1-Carboxylate(WX170009)
- CAS RN: 1250996-04-3
- Product Code: SSC-029627
-
8-(tert-butoxycarbonyl)-8-azaspiro[4.5]decane-1-carboxylic acid
- CAS RN: 1250996-34-9
- Product Code: SSC-029629
![CAS 1250994-14-9 tert-butyl 2-oxo-8-azaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250994-14-9.gif)
![CAS 1250994-52-5 4-Amino-1-Oxa-9-Aza-Spiro[5.5]Undecane-9-Carboxylic Acid Tert-Butyl Ester(WX100542) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250994-52-5.gif)
![CAS 1250995-41-5 3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250995-41-5.gif)
![CAS 1250995-45-9 tert-butyl N-{2-azabicyclo[2.2.1]heptan-7-yl}carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250995-45-9.gif)
![CAS 1250996-34-9 8-(tert-butoxycarbonyl)-8-azaspiro[4.5]decane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250996-34-9.gif)