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CAS 97975-57-0 (R)-3-(3-(benzyloxycarbonyl)-5-oxooxazolidin-4-yl)propanoic acid molecular structure lightbox
CAS RN: 97975-57-0

(R)-3-(3-(benzyloxycarbonyl)-5-oxooxazolidin-4-yl)propanoic acid

  • Product code: SSC-212424
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 97975-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

97975-57-0 / 3-(5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid

Standard CAS: 97975-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97975-57-0
Multi CAS
Yes
Molecular Formula
C14H15NO6
Molecular Weight
293.270000
Exact Mass
293.089937
InChI
InChI=1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m1/s1
InChIKey
AYOCGDFDOZVEKT-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.08
TPSA
93.14

LogP / Solubility

WLOGP
1.37
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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