CAS RN: 1160430-66-9
6-(4-chlorophenoxy)-3-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.20250621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1160430-66-9
- Purity/Analytical Methods: >99.0%
1160430-66-9 / 6-(4-chlorophenoxy)pyridine-3-carbaldehyde
6-(4-chlorophenoxy)pyridine-3-carbaldehyde | RefChem:539389 | 962-676-1
Basic Information
CAS
1160430-66-9
Multi CAS
No
Molecular Formula
C12H8ClNO2
Molecular Weight
233.650000
Exact Mass
233.024356
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C=O)Cl
InChI
InChI=1S/C12H8ClNO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H
InChIKey
SMZLJRHNWGOQOS-UHFFFAOYSA-N
Synonyms
6-(4-chlorophenoxy)pyridine-3-carbaldehyde
RefChem:539389
962-676-1
6-(4-Chlorophenoxy)nicotinaldehyde
MFCD12403521
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.15
TPSA
39.19
LogP / Solubility
WLOGP
3.34
MLOGP
2.94
XLogP3
2.8
Consensus LogP
3.03
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.77
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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