CAS RN: 618382-78-8
5-THIOPHEN-2-YL-2-P-TOLYL-2H-PYRAZOLE-3-CARBOXYLICACID
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.20250619 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS618382-78-8
- Purity/Analytical Methods: >99.0%
618382-78-8 / 1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
Basic Information
CAS
618382-78-8
Multi CAS
No
Molecular Formula
C15H12N2O2S
Molecular Weight
284.300000
Exact Mass
284.061949
InChI
InChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)17-13(15(18)19)9-12(16-17)14-3-2-8-20-14/h2-9H,1H3,(H,18,19)
InChIKey
AYTZYVJMWLADLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.57
TPSA
55.12
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.5
Consensus LogP
3.43
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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