CAS RN: 1192812-66-0
METAXALONE‐D3
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250122 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1192812-66-0
- Purity/Analytical Methods: >99.0%
1192812-66-0 / 5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
Metaxalone-d3 | Metaxalone-d3 (3,5-dimethylphenoxy-2,4,6-d3) | SCHEMBL13663269
Basic Information
CAS
1192812-66-0
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
224.270000
Exact Mass
224.124024
SMILES
[2H]C1=C(C(=C(C(=C1C)[2H])OCC2CNC(=O)O2)[2H])C
InChI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)/i3D,4D,5D
InChIKey
IMWZZHHPURKASS-QGZYMEECSA-N
Synonyms
Metaxalone-d3
Metaxalone-d3 (3,5-dimethylphenoxy-2,4,6-d3)
SCHEMBL13663269
HY-B0678S
MS-23264
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.68
TPSA
47.56
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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