CAS RN: 1749-08-2
N-(4-METHOXYBENZYLIDENE)-4-METHOXYANILINE
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.20250214 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1749-08-2
- Purity/Analytical Methods: >99.0%
1749-08-2 / N,1-bis(4-methoxyphenyl)methanimine
Basic Information
CAS
1749-08-2
Multi CAS
No
Molecular Formula
C15H15NO2
Molecular Weight
241.280000
Exact Mass
241.110279
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H15NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-11H,1-2H3
InChIKey
ZDOHZYPZEUJYKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
73.24
TPSA
30.82
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
2.8
Consensus LogP
3.1
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-1.74
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
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