CAS RN: 96099-84-2
N-(tert-Butoxycarbonyl)-D-threonine Methyl Ester
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.20250923 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB5537
- Purity/Analytical Methods: >98.0%(HPLC)(N)
96099-84-2 / methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
96099-84-2
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
InChI
InChI=1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)
InChIKey
MZMWAPNVRMDIPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.85
TPSA
84.86
LogP / Solubility
WLOGP
0.43
MLOGP
0.39
XLogP3
0.6
Consensus LogP
0.47
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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