CAS RN: 339161-04-5
L-ALLOISOTHREONINE HCL
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.20260125 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS339161-04-5
- Purity/Analytical Methods: >99.0%
339161-04-5 / (2R,3S)-3-amino-2-hydroxybutanoic acid;hydrochloride
Basic Information
CAS
339161-04-5
Multi CAS
Yes
Molecular Formula
C4H10CLNO3
Molecular Weight
155.580000
Exact Mass
155.034921
InChI
InChI=1S/C4H9NO3.ClH/c1-2(5)3(6)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H/t2-,3+;/m0./s1
InChIKey
GNOCKVJSXPCGKD-LJUKVTEVSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.54
TPSA
83.55
LogP / Solubility
WLOGP
-0.8
MLOGP
-0.71
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-4.24
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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