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CAS RN: 5072-26-4
DL-BUTHIONINE-[S,R]-SULFOXIMINE
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260423 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5072-26-4
- Purity/Analytical Methods: >99.0%
5072-26-4 / 2-amino-4-(butylsulfonimidoyl)butanoic acid
Basic Information
CAS
5072-26-4
Multi CAS
Yes
Molecular Formula
C8H18N2O3S
Molecular Weight
222.310000
Exact Mass
222.103814
InChI
InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKey
KJQFBVYMGADDTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.73
TPSA
104.24
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
-0.6
Consensus LogP
0.2
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
