CAS RN: 79124-76-8
3-(3,4-DICHLOROPHENOXY)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.20251120 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS79124-76-8
- Purity/Analytical Methods: >99.0%
79124-76-8 / 3-(3,4-dichlorophenoxy)benzaldehyde
Basic Information
CAS
79124-76-8
Multi CAS
Yes
Molecular Formula
C13H8CL2O2
Molecular Weight
267.100000
Exact Mass
265.990135
InChI
InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
InChIKey
ABQHJSHFFLAGHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
68.37
TPSA
26.3
LogP / Solubility
WLOGP
4.6
MLOGP
4.05
XLogP3
4.2
Consensus LogP
4.28
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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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