CAS RN: 360-80-5
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-3-methyl-, 1,1-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.20250630 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS360-80-5
- Purity/Analytical Methods: >99.0%
360-80-5 / 3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Basic Information
CAS
360-80-5
Multi CAS
No
Molecular Formula
C8H10N2O2S
Molecular Weight
198.240000
Exact Mass
198.046299
InChI
InChI=1S/C8H10N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-6,9-10H,1H3
InChIKey
JXIUDFUSAVZJDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.85
TPSA
58.2
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
1.2
Consensus LogP
0.86
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
