CAS RN: 34317-60-7
S-(1,2-dicarboxyethyl)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.20260508 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS34317-60-7
- Purity/Analytical Methods: >99.0%
34317-60-7 / 2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acid
Basic Information
CAS
34317-60-7
Multi CAS
Yes
Molecular Formula
C7H11NO6S
Molecular Weight
237.230000
Exact Mass
237.030708
InChI
InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey
XPKKFTKCRVIDAG-UHFFFAOYSA-N
Physical Properties
Melting Point
132 - 134 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
51.75
TPSA
137.92
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.82
XLogP3
-3.6
Consensus LogP
-1.79
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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