CAS RN: 790702-57-7
ML414(NGI-1)
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 100mg | Out of stock | Inquiry | |
| Batchno.20260125 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250123 | 1g | Out of stock | Inquiry | |
| Batchno.20260324 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 250mg | Out of stock | Inquiry | |
| Batchno.20251029 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 50mg | Out of stock | Inquiry | |
| Batchno.20250905 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS790702-57-7
- Purity/Analytical Methods: >99.0%
790702-57-7 / 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
Basic Information
CAS
790702-57-7
Multi CAS
No
Molecular Formula
C17H22N4O3S2
Molecular Weight
394.500000
Exact Mass
394.113333
InChI
InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
InChIKey
QPKGRLIYJGBKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
103.57
TPSA
82.61
LogP / Solubility
WLOGP
2.55
MLOGP
2.27
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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