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CAS 1209467-60-6 tert-butyl (4R)-2,2-dioxo-4-phenyl-1,2,3-oxathiazolidine-3-carboxylate molecular structure lightbox
CAS RN: 1209467-60-6

tert-butyl (4R)-2,2-dioxo-4-phenyl-1,2,3-oxathiazolidine-3-carboxylate

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg Out of stock Inquiry
Batchno.20250525 1g Out of stock Inquiry
Batchno.20260701 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-022288
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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 1209467-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1209467-60-6 / tert-butyl (4R)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

(4R)-2,2-DIOXIDO-4-PHENYL-1,2,3-OXATHIAZOLIDINE, N-BOC PROTECTED | MFCD17018793 | (R)-tert-Butyl 4-phenyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

Standard CAS: 1209467-60-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209467-60-6
Multi CAS
Yes
Molecular Formula
C13H17NO5S
Molecular Weight
299.340000
Exact Mass
299.082744
SMILES
CC(C)(C)OC(=O)N1[C@@H](COS1(=O)=O)C2=CC=CC=C2
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-/m0/s1
InChIKey
MRPGVSFPIVVEKD-NSHDSACASA-N
Synonyms
(4R)-2,2-DIOXIDO-4-PHENYL-1,2,3-OXATHIAZOLIDINE, N-BOC PROTECTED MFCD17018793 (R)-tert-Butyl 4-phenyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide tert-butyl (R)-4-phenyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide tert-butyl (4R)-2,2-dioxo-4-phenyl-1,2lambda,3-oxathiazolidine-3-carboxylate

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

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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