CAS RN: 741717-60-2
Ethyl 1-(pyridin-3-yl)-1H-pyrazole-4-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251022 | 50mg / 250mg / 1g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS741717-60-2
- Purity/Analytical Methods: >99.0%
741717-60-2 / ethyl 1-pyridin-3-ylpyrazole-4-carboxylate
Basic Information
CAS
741717-60-2
Multi CAS
No
Molecular Formula
C11H11N3O2
Molecular Weight
217.220000
Exact Mass
217.085127
InChI
InChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h3-8H,2H2,1H3
InChIKey
HTSHJGDGVAEYCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
57.32
TPSA
57.01
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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