CAS RN: 109075-73-2
(S)-Benzyl (1-(Methoxy(Methyl)Amino)-4-Methyl-1-Oxopentan-2-Yl)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.20260514 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS109075-73-2
- Purity/Analytical Methods: >99.0%
109075-73-2 / benzyl N-[(2S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
(S)-Benzyl (1-(methoxy(methyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | MFCD30185071 | benzyl N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-methylbutyl]carbamate
Basic Information
CAS
109075-73-2
Multi CAS
Yes
Molecular Formula
C16H24N2O4
Molecular Weight
308.370000
Exact Mass
308.173607
SMILES
CC(C)C[C@@H](C(=O)N(C)OC)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O4/c1-12(2)10-14(15(19)18(3)21-4)17-16(20)22-11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,17,20)/t14-/m0/s1
InChIKey
CEWGAKSJXWSJMA-AWEZNQCLSA-N
Synonyms
(S)-Benzyl (1-(methoxy(methyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
MFCD30185071
benzyl N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-methylbutyl]carbamate
benzyl N-[(2S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SCHEMBL16847835
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.78
TPSA
67.87
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
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
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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