CAS RN: 1621706-89-5
Methyl (R)-3-Boc-1,2,3-oxathiazolidine-4-carboxylate 2,2-Dioxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251130 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-069726
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1621706-89-5 / 3-O-tert-butyl 4-O-methyl (4R)-2,2-dioxooxathiazolidine-3,4-dicarboxylate
Basic Information
CAS
1621706-89-5
Multi CAS
No
Molecular Formula
C9H15NO7S
Molecular Weight
281.290000
Exact Mass
281.056923
SMILES
CC(C)(C)OC(=O)N1[C@H](COS1(=O)=O)C(=O)OC
InChI
InChI=1S/C9H15NO7S/c1-9(2,3)17-8(12)10-6(7(11)15-4)5-16-18(10,13)14/h6H,5H2,1-4H3/t6-/m1/s1
InChIKey
HJGPFSSCXYNPJJ-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
58.75
TPSA
99.21
LogP / Solubility
WLOGP
0.04
MLOGP
0.05
XLogP3
0.5
Consensus LogP
0.2
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
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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