![CAS 197080-73-2 endo-7-Boc-7-azabicyclo[2.2.1]heptan-2-yl carboxylic acid methyl ester racemate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/197080-73-2.gif)
CAS RN: 197080-73-2
endo-7-Boc-7-azabicyclo[2.2.1]heptan-2-yl carboxylic acid methyl ester racemate
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.20260422 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS197080-73-2
- Purity/Analytical Methods: >99.0%
197080-73-2 / 7-O-tert-butyl 2-O-methyl (1S,2S,4R)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
Basic Information
CAS
197080-73-2
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](C2)C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-8-5-6-10(14)9(7-8)11(15)17-4/h8-10H,5-7H2,1-4H3/t8-,9+,10+/m1/s1
InChIKey
ZBESKVIRYNQXCD-UTLUCORTSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
65.01
TPSA
55.84
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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