CAS RN: 67651-53-0
4-(3,4-DICHLOROPHENOXY)ANILINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260331 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS67651-53-0
- Purity/Analytical Methods: >99.0%
67651-53-0 / 4-(3,4-dichlorophenoxy)aniline
Basic Information
CAS
67651-53-0
Multi CAS
No
Molecular Formula
C12H9CL2NO
Molecular Weight
254.110000
Exact Mass
253.006119
InChI
InChI=1S/C12H9Cl2NO/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h1-7H,15H2
InChIKey
BRHDZZRNYSNPSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.39
TPSA
35.25
LogP / Solubility
WLOGP
4.37
MLOGP
3.85
XLogP3
4.2
Consensus LogP
4.14
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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