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CAS 263719-76-2 tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate molecular structure lightbox
CAS RN: 263719-76-2

tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250825 100mg In stock Shanghai Inquiry
Batchno.20260413 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260120 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250305 250mg In stock Shanghai Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: SSC-123825
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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: ＞97%
  • 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 263719-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

263719-76-2 / tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate

Standard CAS: 263719-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263719-76-2
Multi CAS
No
Molecular Formula
C7H14N2O4S
Molecular Weight
222.260000
Exact Mass
222.067428
SMILES
CC(C)(C)OC(=O)N1CCNS1(=O)=O
InChI
InChI=1S/C7H14N2O4S/c1-7(2,3)13-6(10)9-5-4-8-14(9,11)12/h8H,4-5H2,1-3H3
InChIKey
APFAUGSFPCAVKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.86
TPSA
75.71

LogP / Solubility

WLOGP
0.07
MLOGP
0.07
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-4.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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