CAS RN: 22544-02-1
4-Chloro-1-(2-chlorophenoxy)-2-nitrobenzene
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.20260609 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22544-02-1
- Purity/Analytical Methods: >99.0%
22544-02-1 / 4-chloro-1-(2-chlorophenoxy)-2-nitrobenzene
Basic Information
CAS
22544-02-1
Multi CAS
No
Molecular Formula
C12H7Cl2NO3
Molecular Weight
284.090000
Exact Mass
282.980299
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H7Cl2NO3/c13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14/h1-7H
InChIKey
AXWRVQCZOCJLFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.63
TPSA
52.37
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-1.12
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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