CAS RN: 129952-14-3
2-Oxazolidinone, 3-(2-Methoxyacetyl)-4-(phenylMethyl)-, (4S)-
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.20250715 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129952-14-3
- Purity/Analytical Methods: >99.0%
129952-14-3 / (4S)-4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one
Basic Information
CAS
129952-14-3
Multi CAS
No
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
SMILES
COCC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKey
YUQUPSUDOOOQRB-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
64
TPSA
55.84
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.6
Consensus LogP
1.3
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1-Hydroxy-8-phenylnaphthalene
- CAS RN: 129957-20-6
- Product Code: starshine_CAS129957-20-6
- Purity/Analytical method: >99.0%
-
-
8-methoxyisoquinolin-1(2H)-one
- CAS RN: 129959-09-7
- Product Code: starshine_CAS129959-09-7
- Purity/Analytical method: >99.0%
-
-
-
