CAS RN: 96219-87-3
(3-AMINOPYRAZOL-4-YL)(2-THIENYL)METHANONE
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.20260202 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96219-87-3
- Purity/Analytical Methods: >99.0%
96219-87-3 / (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
Basic Information
CAS
96219-87-3
Multi CAS
No
Molecular Formula
C8H7N3OS
Molecular Weight
193.230000
Exact Mass
193.030983
InChI
InChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11)
InChIKey
DKSHGSCMEXOBRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.75
TPSA
71.77
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.8
Consensus LogP
1.4
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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