![CAS 15182-06-6 2-[2-(DIMETHYLAMINO)ETHOXY]BENZALDEHYDE 97 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15182-06-6.gif)
CAS RN: 15182-06-6
2-[2-(DIMETHYLAMINO)ETHOXY]BENZALDEHYDE 97
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.20260131 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15182-06-6
- Purity/Analytical Methods: >99.0%
15182-06-6 / 2-[2-(dimethylamino)ethoxy]benzaldehyde
Basic Information
CAS
15182-06-6
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CN(C)CCOC1=CC=CC=C1C=O
InChI
InChI=1S/C11H15NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,9H,7-8H2,1-2H3
InChIKey
TWMYSXRSVLFCGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
55.88
TPSA
29.54
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.7
Consensus LogP
1.47
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 15182-92-0 4-[2-(DIMETHYLAMINO)ETHOXY]BENZALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15182-92-0.gif)
