![CAS 88815-86-5 tert-Butyl N-[1-(MethylcarbaMoyl)ethyl]carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88815-86-5.gif)
CAS RN: 88815-86-5
tert-Butyl N-[1-(MethylcarbaMoyl)ethyl]carbaMate
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.20251005 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS88815-86-5
- Purity/Analytical Methods: >99.0%
88815-86-5 / tert-butyl N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
Basic Information
CAS
88815-86-5
Multi CAS
No
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
InChI
InChI=1S/C9H18N2O3/c1-6(7(12)10-5)11-8(13)14-9(2,3)4/h6H,1-5H3,(H,10,12)(H,11,13)
InChIKey
RZQVVXVADFHVDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.9
TPSA
67.43
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.47
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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