CAS RN: 40233-28-1
N-(3,4-dichlorophenyl)-N-methylacetamide
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 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40233-28-1
- Purity/Analytical Methods: >99.0%
40233-28-1 / N-(3,4-dichlorophenyl)-N-methylacetamide
Basic Information
CAS
40233-28-1
Multi CAS
No
Molecular Formula
C9H9CL2NO
Molecular Weight
218.080000
Exact Mass
217.006119
InChI
InChI=1S/C9H9Cl2NO/c1-6(13)12(2)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3
InChIKey
RGFPPQNQHFTETE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.55
TPSA
20.31
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.94
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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