![CAS 1228182-56-6 2-[(Octadecyloxy)methyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228182-56-6.gif)
CAS RN: 1228182-56-6
2-[(Octadecyloxy)methyl]pyridine
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.20250120 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1228182-56-6
- Purity/Analytical Methods: >99.0%
1228182-56-6 / 2-(octadecoxymethyl)pyridine
Basic Information
CAS
1228182-56-6
Multi CAS
No
Molecular Formula
C24H43NO
Molecular Weight
361.600000
Exact Mass
361.334465
SMILES
CCCCCCCCCCCCCCCCCCOCC1=CC=CC=N1
InChI
InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey
CIMKFNVBRHPSRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
19
H-bond acceptors
2
Molar refractivity
113.44
TPSA
22.12
LogP / Solubility
WLOGP
7.86
MLOGP
6.94
XLogP3
9.4
Consensus LogP
8.07
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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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