CAS RN: 210035-02-2
NSC 304613
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.20260411 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210035-02-2
- Purity/Analytical Methods: >99.0%
210035-02-2 / imidazo[1,2-a]pyridin-3-yl(phenyl)methanone
Basic Information
CAS
210035-02-2
Multi CAS
No
Molecular Formula
C14H10N2O
Molecular Weight
222.240000
Exact Mass
222.079313
SMILES
C1=CC=C(C=C1)C(=O)C2=CN=C3N2C=CC=C3
InChI
InChI=1S/C14H10N2O/c17-14(11-6-2-1-3-7-11)12-10-15-13-8-4-5-9-16(12)13/h1-10H
InChIKey
KENNIKKVQDCFIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.07
TPSA
34.37
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
3.4
Consensus LogP
2.74
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.25
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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