CAS RN: 112663-80-6
(S)-benzyl 2-oxooxazolidine-5-carboxylate
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.20260317 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS112663-80-6
- Purity/Analytical Methods: >99.0%
112663-80-6 / benzyl (5S)-2-oxo-1,3-oxazolidine-5-carboxylate
(S)-benzyl 2-oxooxazolidine-5-carboxylate | Benzyl (5S)-2-oxo-1,3-oxazolidine-5-carboxylate | Benzyl (S)-2-oxooxazolidine-5-carboxylate
Basic Information
CAS
112663-80-6
Multi CAS
Yes
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
SMILES
C1[C@H](OC(=O)N1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H11NO4/c13-10(9-6-12-11(14)16-9)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChIKey
BXBOMORKYGQSFX-VIFPVBQESA-N
Synonyms
(S)-benzyl 2-oxooxazolidine-5-carboxylate
Benzyl (5S)-2-oxo-1,3-oxazolidine-5-carboxylate
Benzyl (S)-2-oxooxazolidine-5-carboxylate
CID 10933007
SCHEMBL12741664
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.51
TPSA
64.63
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
1.2
Consensus LogP
0.93
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-3.47
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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