![CAS 1330169-92-0 4-[4-[(5S)-5-(AMinoMethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-Morpholinone-d4 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92543364.gif)
CAS RN: 1330169-92-0
4-[4-[(5S)-5-(AMinoMethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-Morpholinone-d4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1330169-92-0
- Purity/Analytical Methods: >99.0%
1330169-92-0 / 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,3,5,6-tetradeuteriophenyl]morpholin-3-one
Basic Information
CAS
1330169-92-0
Multi CAS
No
Molecular Formula
C14H17N3O4
Molecular Weight
295.330000
Exact Mass
295.147013
SMILES
[2H]C1=C(C(=C(C(=C1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CN)[2H]
InChI
InChI=1S/C14H17N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12H,5-9,15H2/t12-/m0/s1/i1D,2D,3D,4D
InChIKey
DEXXSYVEWAYIGZ-ALIZGMTFSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.28
TPSA
85.1
LogP / Solubility
WLOGP
0.33
MLOGP
0.3
XLogP3
-0.4
Consensus LogP
0.08
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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