CAS RN: 13010-53-2
L-METHIONINE-METHYL-D3
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.20251209 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13010-53-2
- Purity/Analytical Methods: >99.0%
13010-53-2 / (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acid
Basic Information
CAS
13010-53-2
Multi CAS
No
Molecular Formula
C5H11NO2S
Molecular Weight
152.230000
Exact Mass
152.069880
SMILES
[2H]C([2H])([2H])SCC[C@@H](C(=O)O)N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
InChIKey
FFEARJCKVFRZRR-OSIBIXDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.61
TPSA
63.32
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
-1.9
Consensus LogP
-0.54
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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