CAS RN: 863015-82-1
1,3,4-Oxathiazinane 3,3-Dioxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
863015-82-1 / 1,3,4-oxathiazinane 3,3-dioxide
1,3,4-Oxathiazinane 3,3-dioxide | [1,3,4]OXATHIAZINANE 3,3-DIOXIDE | 1,3??,4-OXATHIAZINANE-3,3-DIONE
Basic Information
CAS
863015-82-1
Multi CAS
No
Molecular Formula
C3H7NO3S
Molecular Weight
137.160000
Exact Mass
137.014664
SMILES
C1COCS(=O)(=O)N1
InChI
InChI=1S/C3H7NO3S/c5-8(6)3-7-2-1-4-8/h4H,1-3H2
InChIKey
CFRCZLVPCCLZFG-UHFFFAOYSA-N
Synonyms
1,3,4-Oxathiazinane 3,3-dioxide
[1,3,4]OXATHIAZINANE 3,3-DIOXIDE
1,3??,4-OXATHIAZINANE-3,3-DIONE
MFCD09953728
1,3,4-Oxathiazinane3,3-dioxide
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.74
TPSA
55.4
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.98
XLogP3
-0.9
Consensus LogP
-1
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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