CAS RN: 162222-14-2
N-(2-(3,5-dichlorophenyl)propan-2-yl)acetamide
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.20260326 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS162222-14-2
- Purity/Analytical Methods: >99.0%
162222-14-2 / N-[2-(3,5-dichlorophenyl)propan-2-yl]acetamide
Basic Information
CAS
162222-14-2
Multi CAS
No
Molecular Formula
C11H13Cl2NO
Molecular Weight
246.130000
Exact Mass
245.037419
SMILES
CC(=O)NC(C)(C)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO/c1-7(15)14-11(2,3)8-4-9(12)6-10(13)5-8/h4-6H,1-3H3,(H,14,15)
InChIKey
CNIGDEXRWSJDTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.3
TPSA
29.1
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
2.9
Consensus LogP
3.08
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-1.83
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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