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CAS 454248-55-6 tert-butyl 4,4-Dimethyl-2,2-dioxooxathiazolidine-3-carboxylate molecular structure lightbox
CAS RN: 454248-55-6

tert-butyl 4,4-Dimethyl-2,2-dioxooxathiazolidine-3-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260109 100mg In stock Inquiry
Batchno.20251108 1g In stock Inquiry
Batchno.20260606 250mg In stock Inquiry
Batchno.20250809 5g In stock Inquiry
  • Product code: SSC-153163
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 454248-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

454248-55-6 / tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate

Standard CAS: 454248-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
454248-55-6
Multi CAS
Yes
Molecular Formula
C9H17NO5S
Molecular Weight
251.300000
Exact Mass
251.082744
InChI
InChI=1S/C9H17NO5S/c1-8(2,3)15-7(11)10-9(4,5)6-14-16(10,12)13/h6H2,1-5H3
InChIKey
BNXUCYJCRZGFLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
57.02
TPSA
72.91

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

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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