CAS RN: 1393377-32-6
1,2,3-benzoxathiazine,8-methoxy-,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.20251022 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1393377-32-6
- Purity/Analytical Methods: >99.0%
1393377-32-6 / 8-methoxy-1,2lambda6,3-benzoxathiazine 2,2-dioxide
Basic Information
CAS
1393377-32-6
Multi CAS
No
Molecular Formula
C8H7NO4S
Molecular Weight
213.210000
Exact Mass
213.009579
SMILES
COC1=CC=CC2=C1OS(=O)(=O)N=C2
InChI
InChI=1S/C8H7NO4S/c1-12-7-4-2-3-6-5-9-14(10,11)13-8(6)7/h2-5H,1H3
InChIKey
COPOUJYJUXWYGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.14
TPSA
64.96
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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