CAS RN: 59943-31-6
DU 717
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.20260526 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59943-31-6
- Purity/Analytical Methods: >99.0%
59943-31-6 / 7-chloro-3-(4-methylpiperazin-1-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Basic Information
CAS
59943-31-6
Multi CAS
Yes
Molecular Formula
C12H15CLN4O2S
Molecular Weight
314.790000
Exact Mass
314.060425
InChI
InChI=1S/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
JPZVJONKWYICFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.77
TPSA
65.01
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-METHYL-1,2,3-THIADIAZOLE-5-CARBONYL CHLORIDE
- CAS RN: 59944-65-9
- Product Code: SSC-168519
-
-
-
-
ethyl 5-aMino-2-chloropyriMidine-4-carboxylate
- CAS RN: 59950-50-4
- Product Code: SSC-168525
-
4-PyriMidinecarboxylic acid, 5-aMino-, ethyl ester
- CAS RN: 59950-51-5
- Product Code: SSC-168526
![CAS 59944-75-1 THIENO[2,3-B]PYRAZIN-7-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59944-75-1.gif)
![CAS 59944-76-2 THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59944-76-2.gif)
![CAS 59944-79-5 THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59944-79-5.gif)
