CAS RN: 197774-71-3
4-PYRIDIN-4-YL-1H-PYRROLE-3-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.20250702 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS197774-71-3
- Purity/Analytical Methods: >99.0%
197774-71-3 / 4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid
Basic Information
CAS
197774-71-3
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CN=CC=C1C2=CNC=C2C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-1-3-11-4-2-7/h1-6,12H,(H,13,14)
InChIKey
DEZPLIJUGSJTCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.98
TPSA
65.98
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
0.8
Consensus LogP
1.38
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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