CAS RN: 255832-34-9
3-(2-Phenylethoxy)benzaldehyde
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.20250616 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS255832-34-9
- Purity/Analytical Methods: >99.0%
255832-34-9 / 3-(2-phenylethoxy)benzaldehyde
Basic Information
CAS
255832-34-9
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C=O
InChI
InChI=1S/C15H14O2/c16-12-14-7-4-8-15(11-14)17-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
InChIKey
VWVROMYRIBEFSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
67.47
TPSA
26.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.88
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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