CAS RN: 823198-78-3
2-((3-Methoxyphenyl)ethynyl)-6-methylpyridine hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250611 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250221 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250902 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251127 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260128 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250206 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LINM902162
823198-78-3 / 2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine;hydrochloride
Basic Information
CAS
823198-78-3
Multi CAS
No
Molecular Formula
C15H14CLNO
Molecular Weight
259.730000
Exact Mass
259.076392
InChI
InChI=1S/C15H13NO.ClH/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2;/h3-8,11H,1-2H3;1H
InChIKey
BWGVEMBFNIKUJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.2
TPSA
22.12
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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