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CAS 540496-34-2 4-Oxazolidineacetic acid, 2-oxo-, phenylmethyl ester, (4S)- molecular structure lightbox
CAS RN: 540496-34-2

4-Oxazolidineacetic acid, 2-oxo-, phenylmethyl ester, (4S)-

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Batchno.20250803 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS540496-34-2
  • Purity/Analytical Methods: >99.0%
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540496-34-2 / benzyl 2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]acetate

Standard CAS: 540496-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
540496-34-2
Multi CAS
Yes
Molecular Formula
C12H13NO4
Molecular Weight
235.240000
Exact Mass
235.084458
InChI
InChI=1S/C12H13NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKey
VFXVGUKENCPCBN-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.13
TPSA
64.63

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.28

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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