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CAS 479687-23-5 (4S)-4-Phenyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97% molecular structure lightbox
CAS RN: 479687-23-5

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

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 100mg In stock Shanghai Inquiry
Batchno.20250827 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
Batchno.20250921 1g Out of stock Inquiry
Batchno.20260417 250mg In stock Shanghai Inquiry
Batchno.20250725 5g Out of stock Inquiry
  • Product code: SSC-154946
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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: 5g
  • 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 479687-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

479687-23-5 / tert-butyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

Standard CAS: 479687-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479687-23-5
Multi CAS
Yes
Molecular Formula
C13H17NO5S
Molecular Weight
299.340000
Exact Mass
299.082744
InChI
InChI=1S/C13H17NO5S/c1-13(2,3)19-12(15)14-11(9-18-20(14,16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKey
MRPGVSFPIVVEKD-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
72.13
TPSA
72.91

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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