CAS RN: 50670-78-5
4-(3,4-DICHLOROPHENYL)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.20260212 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50670-78-5
- Purity/Analytical Methods: >99.0%
50670-78-5 / 4-(3,4-dichlorophenyl)benzaldehyde
Basic Information
CAS
50670-78-5
Multi CAS
No
Molecular Formula
C13H8CL2O
Molecular Weight
251.100000
Exact Mass
249.995220
InChI
InChI=1S/C13H8Cl2O/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-8H
InChIKey
OMFFUMDRNYYSFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.29
TPSA
17.07
LogP / Solubility
WLOGP
4.47
MLOGP
3.94
XLogP3
4.8
Consensus LogP
4.4
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-1.08
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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