![CAS 1523618-31-6 4-Oxo-6-aza-bicyclo[3.2.0]heptane-6-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32704406(1).gif)
CAS RN: 1523618-31-6
4-Oxo-6-aza-bicyclo[3.2.0]heptane-6-carboxylic acid 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.20260608 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1523618-31-6
- Purity/Analytical Methods: >99.0%
1523618-31-6 / tert-butyl 4-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate
Basic Information
CAS
1523618-31-6
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N1CC2C1C(=O)CC2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-5-8(13)9(7)12/h7,9H,4-6H2,1-3H3
InChIKey
FBONPFZMFQDEFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.46
TPSA
46.61
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.88
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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