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CAS 1219802-57-9 N-ACETYL-D3-GLYCINE-D2-N-METHYL-D3-AMIDE molecular structure lightbox
CAS RN: 1219802-57-9

N-ACETYL-D3-GLYCINE-D2-N-METHYL-D3-AMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1219802-57-9
  • Purity/Analytical Methods: >99.0%
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1219802-57-9 / 2,2,2-trideuterio-N-[1,1-dideuterio-2-oxo-2-(trideuteriomethylamino)ethyl]acetamide

Standard CAS: 1219802-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219802-57-9
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
138.190000
Exact Mass
138.124442
SMILES
[2H]C([2H])([2H])C(=O)NC([2H])([2H])C(=O)NC([2H])([2H])[2H]
InChI
InChI=1S/C5H10N2O2/c1-4(8)7-3-5(9)6-2/h3H2,1-2H3,(H,6,9)(H,7,8)/i1D3,2D3,3D2
InChIKey
FJMAXCRRCJSCIE-AUOAYUKBSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.75
TPSA
58.2

LogP / Solubility

WLOGP
-1.13
MLOGP
-1
XLogP3
-1.6
Consensus LogP
-1.24
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly 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)
-4.32

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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