CAS RN: 1415242-47-5
(R)-4-amino-2-ethylisoxazolidin-3-one hydrochloride(WXC06453)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251231 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415242-47-5
- Purity/Analytical Methods: >99.0%
1415242-47-5 / (4R)-4-amino-2-ethyl-1,2-oxazolidin-3-one;hydrochloride
Basic Information
CAS
1415242-47-5
Multi CAS
No
Molecular Formula
C5H11ClN2O2
Molecular Weight
166.600000
Exact Mass
166.050905
SMILES
CCN1C(=O)[C@@H](CO1)N.Cl
InChI
InChI=1S/C5H10N2O2.ClH/c1-2-7-5(8)4(6)3-9-7;/h4H,2-3,6H2,1H3;1H/t4-;/m1./s1
InChIKey
MRFVHKKRJHSCBD-PGMHMLKASA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.56
TPSA
55.56
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.42
XLogP3
-0.47
Consensus LogP
-0.45
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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