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CAS 1206227-45-3 (4S)-4-t-Butyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester molecular structure lightbox
CAS RN: 1206227-45-3

(4S)-4-t-Butyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100mg Out of stock Inquiry
Batchno.20251115 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250423 1g Out of stock Inquiry
Batchno.20250306 250mg Out of stock Inquiry
  • Product code: SSC-021641
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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 1206227-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1206227-45-3 / tert-butyl (4S)-4-tert-butyl-2,2-dioxooxathiazolidine-3-carboxylate

(4S)-4-t-Butyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester | (S)-tert-Butyl 4-(tert-butyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide | MFCD17018787

Standard CAS: 1206227-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206227-45-3
Multi CAS
Yes
Molecular Formula
C11H21NO5S
Molecular Weight
279.360000
Exact Mass
279.114044
SMILES
CC(C)(C)[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO5S/c1-10(2,3)8-7-16-18(14,15)12(8)9(13)17-11(4,5)6/h8H,7H2,1-6H3/t8-/m1/s1
InChIKey
HSGFAURARADKGN-MRVPVSSYSA-N
Synonyms
(4S)-4-t-Butyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester (S)-tert-Butyl 4-(tert-butyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide MFCD17018787 (S)-3-Boc-4-tert-butyl-2,2-dioxo-[1,2,3]oxathiazolidine (S)-3-Boc-4-(tert-butyl)-1,2,3-oxathiazolidine 2,2-dioxide

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
66.19
TPSA
72.91

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
2.3
Consensus LogP
1.97
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-3.07

Drug-likeness / Medicinal Chemistry

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

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