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CAS 13590-42-6 benzyl (S)-2,5-dioxooxazolidine-4-acetate molecular structure lightbox
CAS RN: 13590-42-6

benzyl (S)-2,5-dioxooxazolidine-4-acetate

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 100g In stock Shanghai Inquiry
Batchno.20260428 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251019 1g In stock Shanghai Inquiry
Batchno.20260522 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251217 500g In stock Shanghai Inquiry
Batchno.20250821 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 1g In stock Shanghai, Shandong Inquiry
Batchno.20260515 25g Out of stock 5-7 business days Inquiry
Batchno.20250522 5g In stock Shanghai, Chongqing, Hebei Inquiry
  • Product code: SSC-044481
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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: 25g
  • 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 13590-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

13590-42-6 / benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

Standard CAS: 13590-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13590-42-6
Multi CAS
No
Molecular Formula
C12H11NO5
Molecular Weight
249.220000
Exact Mass
249.063722
SMILES
C1=CC=C(C=C1)COC(=O)C[C@H]2C(=O)OC(=O)N2
InChI
InChI=1S/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1
InChIKey
QNIPTEJAZIWFHH-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.27
TPSA
81.7

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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