CAS RN: 4033-46-9
S-(2-Carboxyethyl)-L-cysteine
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.20250402 | 10mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTC2781
- Purity/Analytical Methods: >98.0%(T)
4033-46-9 / 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
Basic Information
CAS
4033-46-9
Multi CAS
Yes
Molecular Formula
C6H11NO4S
Molecular Weight
193.220000
Exact Mass
193.040879
InChI
InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey
FBPINGSGHKXIQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
45.19
TPSA
100.62
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.35
XLogP3
-3.2
Consensus LogP
-1.31
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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