CAS RN: 190260-92-5
N-Boc-D-valine N’-methoxy-N’-methylamide
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.20250326 | 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS190260-92-5
- Purity/Analytical Methods: >99.0%
190260-92-5 / tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
Basic Information
CAS
190260-92-5
Multi CAS
No
Molecular Formula
C12H24N2O4
Molecular Weight
260.330000
Exact Mass
260.173607
SMILES
CC(C)[C@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O4/c1-8(2)9(10(15)14(6)17-7)13-11(16)18-12(3,4)5/h8-9H,1-7H3,(H,13,16)/t9-/m1/s1
InChIKey
RRBFCGUIFHFYQK-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.77
TPSA
67.87
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.9
Consensus LogP
1.61
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
