![CAS 1933533-18-6 4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933533-18-6.gif)
CAS RN: 1933533-18-6
4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneacetic acid
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1933533-18-6
- Purity/Analytical Methods: >99.0%
1933533-18-6 / 2-[4-(6-heptanoylimidazo[1,2-a]pyridin-8-yl)phenyl]acetic acid
Basic Information
CAS
1933533-18-6
Multi CAS
No
Molecular Formula
C22H24N2O3
Molecular Weight
364.400000
Exact Mass
364.178693
SMILES
CCCCCCC(=O)C1=CN2C=CN=C2C(=C1)C3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)
InChIKey
MMYRYMMKMUTPBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.06
TPSA
71.67
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
5
Consensus LogP
4.67
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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