CAS RN: 728919-26-4
3-(6-(Methoxycarbonyl)naphthalen-2-yl)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.20251204 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS728919-26-4
- Purity/Analytical Methods: >99.0%
728919-26-4 / 3-naphthalen-2-ylbenzaldehyde
Basic Information
CAS
728919-26-4
Multi CAS
Yes
Molecular Formula
C17H12O
Molecular Weight
232.280000
Exact Mass
232.088815
InChI
InChI=1S/C17H12O/c18-12-13-4-3-7-15(10-13)17-9-8-14-5-1-2-6-16(14)11-17/h1-12H
InChIKey
BRFKOOFPFQKSIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
74.77
TPSA
17.07
LogP / Solubility
WLOGP
4.32
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
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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