CAS RN: 2922-56-7
S-METHYLGLUTATHIONE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
- Product code: starshine_CAS2922-56-7
- Purity/Analytical Methods: >99.0%
2922-56-7 / (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
2922-56-7
Multi CAS
Yes
Molecular Formula
C11H19N3O6S
Molecular Weight
321.350000
Exact Mass
321.099457
InChI
InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey
QTQDDTSVRVWHMO-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
5
Molar refractivity
75.8
TPSA
158.82
LogP / Solubility
WLOGP
-1.77
MLOGP
-1.55
XLogP3
-4.1
Consensus LogP
-2.47
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.48
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)
-5.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(2,3,5-trihydroxy-4-oxo-pentoxy)phosphonic acid
- CAS RN: 2922-69-2
- Product Code: SSC-131707
-
2′-Deoxyadenosine-5′-monophosphate disodium salt
- CAS RN: 2922-74-9
- Product Code: SSC-131708
-
PYR-GLY-OH
- CAS RN: 29227-88-1
- Product Code: starshine_CAS29227-88-1
- Purity/Analytical method: >99.0%
-
-
(1S,6α)-1-(Benzoyloxy)methyl-6-chloro-4-cyclohexene-1β,2β,3α-triol 3-benzoate
- CAS RN: 29228-15-7
- Product Code: starshine_CAS29228-15-7
- Purity/Analytical method: >99.0%
-
