CAS RN: 1017793-94-0
3-Amino-5-(4-morpholinylmethyl-d2)-2-Oxazolidinone-4,4,5-d3
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1017793-94-0
- Purity/Analytical Methods: >99.0%
1017793-94-0 / 3-amino-4,4,5-trideuterio-5-[dideuterio(morpholin-4-yl)methyl]-1,3-oxazolidin-2-one
AMOZ-d5 | MFCD04973439 | 3-Amino-5-(4-morpholinylmethyl-d2)-2-Oxazolidinone-4,4,5-d3
Basic Information
CAS
1017793-94-0
Multi CAS
No
Molecular Formula
C8H15N3O3
Molecular Weight
206.250000
Exact Mass
206.142725
SMILES
[2H]C1(C(OC(=O)N1N)([2H])C([2H])([2H])N2CCOCC2)[2H]
InChI
InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2/i5D2,6D2,7D
InChIKey
TVHAMVOINIHMEX-VJPLVGRJSA-N
Synonyms
AMOZ-d5
MFCD04973439
3-Amino-5-(4-morpholinylmethyl-d2)-2-Oxazolidinone-4,4,5-d3
3-amino-4,4,5-trideuterio-5-[dideuterio(morpholin-4-yl)methyl]-1,3-oxazolidin-2-one
3-Amino-5-morpholinomethyl-2-oxazolidinone-d5
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.42
TPSA
68.03
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.87
XLogP3
-1.1
Consensus LogP
-0.99
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very 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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1017967-97-3 2-[4-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017967-97-3.gif)
