CAS RN: 15533-81-0
N-(3,4-dichlorophenyl)-N-methylpropionamide
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.20250508 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15533-81-0
- Purity/Analytical Methods: >99.0%
15533-81-0 / N-(3,4-dichlorophenyl)-N-methylpropanamide
Basic Information
CAS
15533-81-0
Multi CAS
No
Molecular Formula
C10H11Cl2NO
Molecular Weight
232.100000
Exact Mass
231.021769
SMILES
CCC(=O)N(C)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO/c1-3-10(14)13(2)7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3
InChIKey
VIFWCQRBNMGEEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.16
TPSA
20.31
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3
Consensus LogP
3.11
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.75
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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