CAS RN: 156223-05-1
3-(2,4-dimethoxybenzylidene)anabaseine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250226 | 5mg / 10mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS156223-05-1
- Purity/Analytical Methods: >99.0%
156223-05-1 / 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;hydrochloride
Basic Information
CAS
156223-05-1
Multi CAS
No
Molecular Formula
C19H21ClN2O2
Molecular Weight
344.800000
Exact Mass
344.129156
SMILES
COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC.Cl
InChI
InChI=1S/C19H20N2O2.ClH/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16;/h3,6-9,11-13H,4-5,10H2,1-2H3;1H/b15-11+;
InChIKey
FNVCHJIVFOPCGS-KRWCAOSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.65
TPSA
43.71
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.19
Consensus LogP
4.03
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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