CAS RN: 10179-57-4
MLS-573151
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20251005 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250719 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 250mg | Out of stock | Inquiry | |
| Batchno.20250218 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260525 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS10179-57-4
- Purity/Analytical Methods: >99.0%
10179-57-4 / 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
MLS-573151 | 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide | 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
Basic Information
CAS
10179-57-4
Multi CAS
No
Molecular Formula
C21H19N3O2S
Molecular Weight
377.500000
Exact Mass
377.119798
SMILES
C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O2S/c22-27(25,26)19-13-11-18(12-14-19)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H2,22,25,26)
InChIKey
OPPCVEVPKHRJNY-UHFFFAOYSA-N
Synonyms
MLS-573151
4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
KUC103427N
UNM-0000306146
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
107.07
TPSA
75.76
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.52
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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