CAS RN: 200282-47-9
BOC-D-ASP-NH2
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.20251109 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200282-47-9
- Purity/Analytical Methods: >99.0%
200282-47-9 / (3R)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Basic Information
CAS
200282-47-9
Multi CAS
No
Molecular Formula
C9H16N2O5
Molecular Weight
232.230000
Exact Mass
232.105922
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)N
InChI
InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m1/s1
InChIKey
VKCARTLEXJLJBZ-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.6
TPSA
118.72
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.4
Consensus LogP
-0.23
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25
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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