CAS RN: 1263180-59-1
3-(1H-Pyrazol-3-Yl)-Indolizine-1-Carboxylic Acid
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.20260527 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263180-59-1
- Purity/Analytical Methods: >99.0%
1263180-59-1 / 3-(1H-pyrazol-5-yl)indolizine-1-carboxylic acid
Basic Information
CAS
1263180-59-1
Multi CAS
No
Molecular Formula
C12H9N3O2
Molecular Weight
227.220000
Exact Mass
227.069477
SMILES
C1=CC2=C(C=C(N2C=C1)C3=CC=NN3)C(=O)O
InChI
InChI=1S/C12H9N3O2/c16-12(17)8-7-11(9-4-5-13-14-9)15-6-2-1-3-10(8)15/h1-7H,(H,13,14)(H,16,17)
InChIKey
TYYVKWOCYMJMLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.94
TPSA
70.39
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.67
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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