![CAS 5800-59-9 7-chloro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5800-59-9.gif)
CAS RN: 5800-59-9
7-chloro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5800-59-9
- Purity/Analytical Methods: >99.0%
5800-59-9 / 7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
Basic Information
CAS
5800-59-9
Multi CAS
No
Molecular Formula
C7H5CLN2O3S
Molecular Weight
232.640000
Exact Mass
231.970941
InChI
InChI=1S/C7H5ClN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
SDCJBUKXFVQVKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.79
TPSA
75.27
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
SU 4312
- CAS RN: 5812-07-7
- Product Code: starshine_CAS5812-07-7
- Purity/Analytical method: >99.0%
-
-
