CAS RN: 53561-07-2
ETHYL 1,5-DIPHENYL-1H-PYRAZOLE-4-CARBOXYLATE
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.20250805 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53561-07-2
- Purity/Analytical Methods: >99.0%
53561-07-2 / ethyl 1,5-diphenylpyrazole-4-carboxylate
Basic Information
CAS
53561-07-2
Multi CAS
No
Molecular Formula
C18H16N2O2
Molecular Weight
292.300000
Exact Mass
292.121178
InChI
InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-19-20(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKey
DNBJQDUHQJKJCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
84.96
TPSA
44.12
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
3.8
Consensus LogP
3.6
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
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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