CAS RN: 59781-07-6
5-(Benzyloxy)-6-chloro-2-pyridinecarbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS59781-07-6
- Purity/Analytical Methods: >99.0%
59781-07-6 / 6-chloro-5-phenylmethoxypyridine-2-carbaldehyde
Basic Information
CAS
59781-07-6
Multi CAS
No
Molecular Formula
C13H10CLNO2
Molecular Weight
247.670000
Exact Mass
247.040006
InChI
InChI=1S/C13H10ClNO2/c14-13-12(7-6-11(8-16)15-13)17-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
WAQMRBDRIYQWII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
65.41
TPSA
39.19
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly 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)
-2.01
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
![CAS 59781-11-2 [5-(benzyloxy)pyridin-2-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59781-11-2.gif)
