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CAS 1215021-54-7 3-Cbz-1,2,3-oxathiazolidine 2,2-dioxide molecular structure lightbox
CAS RN: 1215021-54-7

3-Cbz-1,2,3-oxathiazolidine 2,2-dioxide

  • Product code: SSC-023990
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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 1215021-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1215021-54-7 / benzyl 2,2-dioxooxathiazolidine-3-carboxylate

Standard CAS: 1215021-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215021-54-7
Multi CAS
No
Molecular Formula
C10H11NO5S
Molecular Weight
257.270000
Exact Mass
257.035794
SMILES
C1COS(=O)(=O)N1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C10H11NO5S/c12-10(11-6-7-16-17(11,13)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
JJRUJESEFSYUEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.2
TPSA
72.91

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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