CAS RN: 502925-47-5
6-(4-Methoxyphenyl)-2-pyridinecarboxaldehyde
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.20250615 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM921623
502925-47-5 / 6-(4-methoxyphenyl)pyridine-2-carbaldehyde
Basic Information
CAS
502925-47-5
Multi CAS
Yes
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
InChI
InChI=1S/C13H11NO2/c1-16-12-7-5-10(6-8-12)13-4-2-3-11(9-15)14-13/h2-9H,1H3
InChIKey
JLUDQJVIZSPJFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.61
TPSA
39.19
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.2
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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![CAS 473927-64-9 Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/473927-64-9.png)
