CAS RN: 454-41-1
DL-METHIONINE SULFOXIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260623 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong, Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS454-41-1
- Purity/Analytical Methods: >99.0%
454-41-1 / 2-amino-4-methylsulfinylbutanoic acid
Basic Information
CAS
454-41-1
Multi CAS
Yes
Molecular Formula
C5H11NO3S
Molecular Weight
165.210000
Exact Mass
165.045964
InChI
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.16
TPSA
80.39
LogP / Solubility
WLOGP
-0.83
MLOGP
-0.74
XLogP3
-4.1
Consensus LogP
-1.89
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
