![CAS 957624-87-2 Benzeneacetamide, N-(2,6-dihydro-5-oxido-2-phenyl-4H-thieno[3,4-c]pyrazol-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957624-87-2.gif)
CAS RN: 957624-87-2
Benzeneacetamide, N-(2,6-dihydro-5-oxido-2-phenyl-4H-thieno[3,4-c]pyrazol-3-yl)-
Product Availability
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7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS957624-87-2
- Purity/Analytical Methods: >99.0%
957624-87-2 / N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenylacetamide
Basic Information
CAS
957624-87-2
Multi CAS
No
Molecular Formula
C19H17N3O2S
Molecular Weight
351.400000
Exact Mass
351.104148
InChI
InChI=1S/C19H17N3O2S/c23-18(11-14-7-3-1-4-8-14)20-19-16-12-25(24)13-17(16)21-22(19)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,20,23)
InChIKey
VLPAXNBLNFAYER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.89
TPSA
63.99
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
1.8
Consensus LogP
2.37
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.86
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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