![CAS 2007916-00-7 4-(imidazo[1,2-a]pyridin-7-yloxy)-2-methylaniline* molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007916-00-7.png)
CAS RN: 2007916-00-7
4-(imidazo[1,2-a]pyridin-7-yloxy)-2-methylaniline*
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.20260617 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007916-00-7
- Purity/Analytical Methods: >99.0%
2007916-00-7 / 4-imidazo[1,2-a]pyridin-7-yloxy-2-methylaniline
Basic Information
CAS
2007916-00-7
Multi CAS
No
Molecular Formula
C14H13N3O
Molecular Weight
239.270000
Exact Mass
239.105862
SMILES
CC1=C(C=CC(=C1)OC2=CC3=NC=CN3C=C2)N
InChI
InChI=1S/C14H13N3O/c1-10-8-11(2-3-13(10)15)18-12-4-6-17-7-5-16-14(17)9-12/h2-9H,15H2,1H3
InChIKey
NRWQFAZZGWFFIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.86
TPSA
52.55
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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