CAS RN: 99333-54-7
(S)-(+)-2-Oxo-4-phenyl-3-oxazolidineacetic acid
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.20251209 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99333-54-7
- Purity/Analytical Methods: >99.0%
99333-54-7 / 2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetic acid
Basic Information
CAS
99333-54-7
Multi CAS
Yes
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
InChI
InChI=1S/C11H11NO4/c13-10(14)6-12-9(7-16-11(12)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)/t9-/m1/s1
InChIKey
PUKMRNJLFMISMT-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.87
TPSA
66.84
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.17
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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