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CAS 1206227-46-4 (4S)-4-i-Propyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97% molecular structure lightbox
CAS RN: 1206227-46-4

(4S)-4-i-Propyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97%

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 100mg Out of stock Inquiry
Batchno.20251018 1g Out of stock Inquiry
Batchno.20260503 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021642
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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 1206227-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1206227-46-4 / tert-butyl (4S)-2,2-dioxo-4-propan-2-yloxathiazolidine-3-carboxylate

(4S)-2,2-Dioxido-4-isopropyl-1,2,3-oxathiazolidine, n-boc protected | RefChem:403363 | 828-886-1

Standard CAS: 1206227-46-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206227-46-4
Multi CAS
Yes
Molecular Formula
C10H19NO5S
Molecular Weight
265.330000
Exact Mass
265.098394
SMILES
CC(C)[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5S/c1-7(2)8-6-15-17(13,14)11(8)9(12)16-10(3,4)5/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKey
FWEXSIHWPAKSOP-MRVPVSSYSA-N
Synonyms
(4S)-2,2-Dioxido-4-isopropyl-1,2,3-oxathiazolidine, n-boc protected RefChem:403363 828-886-1 (S)-3-Boc-4-isopropyl-2,2-dioxo-[1,2,3]oxathiazolidine MFCD17018789

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
61.57
TPSA
72.91

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.59
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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