![CAS 1823987-86-5 Racemic-(1R,4R)-5-Tert-Butyl 7-Methyl 2-Oxa-5-Azabicyclo[2.2.1]Heptane-5,7-Dicarboxylate(WX120396) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823987-86-5.gif)
CAS RN: 1823987-86-5
Racemic-(1R,4R)-5-Tert-Butyl 7-Methyl 2-Oxa-5-Azabicyclo[2.2.1]Heptane-5,7-Dicarboxylate(WX120396)
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.20250219 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823987-86-5
- Purity/Analytical Methods: >99.0%
1823987-86-5 / 5-O-tert-butyl 7-O-methyl 2-oxa-5-azabicyclo[2.2.1]heptane-5,7-dicarboxylate
Basic Information
CAS
1823987-86-5
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
SMILES
CC(C)(C)OC(=O)N1CC2C(C1CO2)C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(15)13-5-8-9(10(14)16-4)7(13)6-17-8/h7-9H,5-6H2,1-4H3
InChIKey
NXQWZZUIXYSTDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
61.97
TPSA
65.07
LogP / Solubility
WLOGP
0.79
MLOGP
0.71
XLogP3
0.5
Consensus LogP
0.67
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.73
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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![CAS 1824018-10-1 9-(Tert-Butoxycarbonyl)-4-Methyl-1-Oxa-4,9-Diazaspiro[5.5]Undecane-2-Carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1824018-10-1.gif)
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