![CAS 1259366-15-8 Tert-Butyl 4-Iodo-1-Methyl-7-Oxo-6-Azabicyclo[3.2.1]Octane-6-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259366-15-8.gif)
CAS RN: 1259366-15-8
Tert-Butyl 4-Iodo-1-Methyl-7-Oxo-6-Azabicyclo[3.2.1]Octane-6-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.20251123 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1259366-15-8
- Purity/Analytical Methods: >99.0%
1259366-15-8 / tert-butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
Basic Information
CAS
1259366-15-8
Multi CAS
No
Molecular Formula
C13H20INO3
Molecular Weight
365.210000
Exact Mass
365.048790
SMILES
CC12CCC(C(C1)N(C2=O)C(=O)OC(C)(C)C)I
InChI
InChI=1S/C13H20INO3/c1-12(2,3)18-11(17)15-9-7-13(4,10(15)16)6-5-8(9)14/h8-9H,5-7H2,1-4H3
InChIKey
MIGDPJVIDIQFNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.63
TPSA
46.61
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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