CAS RN: 118685-91-9
SARCOSINE-METHYL-D3
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS118685-91-9
- Purity/Analytical Methods: >99.0%
118685-91-9 / 2-(trideuteriomethylamino)acetic acid
Sarcosine-d3 (methyl-d3) | Sarcosine-d3 | SARCOSINE-METHYL-D3
Basic Information
CAS
118685-91-9
Multi CAS
No
Molecular Formula
C3H7NO2
Molecular Weight
92.110000
Exact Mass
92.066509
SMILES
[2H]C([2H])([2H])NCC(=O)O
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1D3
InChIKey
FSYKKLYZXJSNPZ-FIBGUPNXSA-N
Synonyms
Sarcosine-d3 (methyl-d3)
Sarcosine-d3
SARCOSINE-METHYL-D3
2-(Trideuteriomethylamino)acetic acid
N-(Methyl-d3)-glycine; N-(Methyl-d3)glycine; [2H3]Sarcosine
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.56
TPSA
49.33
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.64
XLogP3
-2.8
Consensus LogP
-1.38
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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