CAS RN: 170097-58-2
(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)(methyl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 1g / 5g / 25g | Confirm by inquiry | Shandong | Inquiry |
- Product code: LINS900626
170097-58-2 / tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
Basic Information
CAS
170097-58-2
Multi CAS
No
Molecular Formula
C11H22N2O4
Molecular Weight
246.300000
Exact Mass
246.157957
SMILES
C[C@H](C(=O)N(C)OC)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O4/c1-8(9(14)13(6)16-7)12(5)10(15)17-11(2,3)4/h8H,1-7H3/t8-/m1/s1
InChIKey
MXNQKIPLJZAZBI-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.24
TPSA
59.08
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.33
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
2
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