![CAS 1250993-43-1 3-Aza-Bicyclo[3.2.0]Heptane-1,3-Dicarboxylic Acid 3-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250993-43-1.gif)
CAS RN: 1250993-43-1
3-Aza-Bicyclo[3.2.0]Heptane-1,3-Dicarboxylic Acid 3-Tert-Butyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250993-43-1
- Purity/Analytical Methods: >99.0%
1250993-43-1 / 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
Basic Information
CAS
1250993-43-1
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CC2CCC2(C1)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8-4-5-12(8,7-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
HFZDQTVYEXMISZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.6
TPSA
66.84
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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