![CAS 1018517-02-6 3-benzylimidazo[1,5-a]pyridine-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018517-02-6.gif)
CAS RN: 1018517-02-6
3-benzylimidazo[1,5-a]pyridine-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.20250115 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1018517-02-6
- Purity/Analytical Methods: >99.0%
1018517-02-6 / 3-benzylimidazo[1,5-a]pyridine-1-carboxylic acid
3-benzylimidazo[1,5-a]pyridine-1-carboxylic acid | MFCD10023836 | starbld0037142
Basic Information
CAS
1018517-02-6
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
C1=CC=C(C=C1)CC2=NC(=C3N2C=CC=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-17(12)13(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKey
UBPINVMHWWSCRI-UHFFFAOYSA-N
Synonyms
3-benzylimidazo[1,5-a]pyridine-1-carboxylic acid
MFCD10023836
starbld0037142
SCHEMBL31282458
AKOS015948279
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.4
TPSA
54.6
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
3.7
Consensus LogP
2.88
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.4
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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