CAS RN: 2007915-76-4
(R)-2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoic acid(WXC05451)
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.20250913 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007915-76-4
- Purity/Analytical Methods: >99.0%
2007915-76-4 / (2R)-2-amino-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
2007915-76-4
Multi CAS
No
Molecular Formula
C10H20N2O4
Molecular Weight
232.280000
Exact Mass
232.142307
SMILES
CC(C)(C)OC(=O)NC(C)(C)[C@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O4/c1-9(2,3)16-8(15)12-10(4,5)6(11)7(13)14/h6H,11H2,1-5H3,(H,12,15)(H,13,14)/t6-/m0/s1
InChIKey
SJHUKHWDMTTYMY-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.06
TPSA
101.65
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
-2
Consensus LogP
-0.23
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.64
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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