CAS RN: 23068-36-2
N-(2,3-dichlorophenyl)acetamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250716 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS23068-36-2
- Purity/Analytical Methods: >99.0%
23068-36-2 / N-(2,3-dichlorophenyl)acetamide
Basic Information
CAS
23068-36-2
Multi CAS
No
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.050000
Exact Mass
202.990469
SMILES
CC(=O)NC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-7-4-2-3-6(9)8(7)10/h2-4H,1H3,(H,11,12)
InChIKey
URQALMDQINOOPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.77
TPSA
29.1
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.1
Consensus LogP
2.55
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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