CAS RN: 56-88-2
L-CYSTATHIONINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS56-88-2
- Purity/Analytical Methods: >99.0%
56-88-2 / 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
Basic Information
CAS
56-88-2
Multi CAS
Yes
Molecular Formula
C7H14N2O4S
Molecular Weight
222.260000
Exact Mass
222.067428
InChI
InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey
ILRYLPWNYFXEMH-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [Merck Index] White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
53.16
TPSA
126.64
LogP / Solubility
WLOGP
-1.07
MLOGP
-0.94
XLogP3
-6
Consensus LogP
-2.67
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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