CAS RN: 49705-26-2
L-METHIONINE-METHYL-13C
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.20250915 | 250mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS49705-26-2
- Purity/Analytical Methods: >99.0%
49705-26-2 / 2-amino-4-methylsulfanylbutanoic acid
Basic Information
CAS
49705-26-2
Multi CAS
Yes
Molecular Formula
C5H11NO2S
Molecular Weight
149.210000
Exact Mass
149.051050
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1
InChIKey
FFEARJCKVFRZRR-YWQIHCTDSA-N
Physical Properties
Melting Point
281 °C
Boiling Point
300.00 to 301.00 °C. @ 760.00 mm Hg
Density
Relative density (water = 1): 1.3
Physical Description
Solid; [Merck Index] Colorless or white solid; [ICSC] White powder;
Solid
COLOURLESS CRYSTALS OR WHITE POWDER.
White crystalline platelets or powder; Characteristic aroma
State
Solid
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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