CAS RN: 2206113-51-9
Ethyl 3-(1H-Pyrazol-3-Yl)Indolizine-1-Carboxylate(WX135236)
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.20250115 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2206113-51-9
- Purity/Analytical Methods: >99.0%
2206113-51-9 / ethyl 3-(1H-pyrazol-5-yl)indolizine-1-carboxylate
Basic Information
CAS
2206113-51-9
Multi CAS
No
Molecular Formula
C14H13N3O2
Molecular Weight
255.270000
Exact Mass
255.100777
SMILES
CCOC(=O)C1=C2C=CC=CN2C(=C1)C3=CC=NN3
InChI
InChI=1S/C14H13N3O2/c1-2-19-14(18)10-9-13(11-6-7-15-16-11)17-8-4-3-5-12(10)17/h3-9H,2H2,1H3,(H,15,16)
InChIKey
XZQRNDNSTSQUBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.94
TPSA
59.39
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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