CAS RN: 80681-09-0
L-THREONINE-15N
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.20251216 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS80681-09-0
- Purity/Analytical Methods: >99.0%
80681-09-0 / (2S,3R)-2-(15N)azanyl-3-hydroxybutanoic acid
Basic Information
CAS
80681-09-0
Multi CAS
Yes
Molecular Formula
C4H9NO3
Molecular Weight
120.110000
Exact Mass
120.055278
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i5+1
InChIKey
AYFVYJQAPQTCCC-SZEKAKMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
27.29
TPSA
83.55
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.08
XLogP3
-2.9
Consensus LogP
-1.73
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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