CAS RN: 556-27-4
(S)-3-(Allylsulphinyl)-L-alanine
Product Availability
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10 package records7 with current stock4 grade groups
- Product code: starshine_CAS556-27-4
- Purity/Analytical Methods: >99.0%
556-27-4 / (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid
Basic Information
CAS
556-27-4
Multi CAS
Yes
Molecular Formula
C6H11NO3S
Molecular Weight
177.220000
Exact Mass
177.045964
InChI
InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1
InChIKey
XUHLIQGRKRUKPH-ITZCMCNPSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.68
TPSA
80.39
LogP / Solubility
WLOGP
-0.67
MLOGP
-0.59
XLogP3
-3.5
Consensus LogP
-1.59
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-4.27
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
2.5
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MAGNESIUM SUCCINATE N-HYDRATE
- CAS RN: 556-32-1
- Product Code: starshine_CAS556-32-1
- Purity/Analytical method: >99.0%
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