CAS RN: 58960-00-2
2-methyl-3,4-dihydro-2H-1,4-benzothiazine
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.20260207 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58960-00-2
- Purity/Analytical Methods: >99.0%
58960-00-2 / 2-methyl-3,4-dihydro-2H-1,4-benzothiazine
Basic Information
CAS
58960-00-2
Multi CAS
No
Molecular Formula
C9H11NS
Molecular Weight
165.260000
Exact Mass
165.061221
InChI
InChI=1S/C9H11NS/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3
InChIKey
QZSCUJZRZIIVBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.25
TPSA
12.03
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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