![CAS 1041439-18-2 AcetaMide, N-cyclopropyl-N-[(2,3-dichlorophenyl)Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1041439-18-2.gif)
CAS RN: 1041439-18-2
AcetaMide, N-cyclopropyl-N-[(2,3-dichlorophenyl)Methyl]-
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.20260612 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1041439-18-2
- Purity/Analytical Methods: >99.0%
1041439-18-2 / N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide
N-cyclopropyl-N-(2,3-dichlorobenzyl)acetamide | N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide | Acetamide, N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-
Basic Information
CAS
1041439-18-2
Multi CAS
No
Molecular Formula
C12H13Cl2NO
Molecular Weight
258.140000
Exact Mass
257.037419
SMILES
CC(=O)N(CC1=C(C(=CC=C1)Cl)Cl)C2CC2
InChI
InChI=1S/C12H13Cl2NO/c1-8(16)15(10-5-6-10)7-9-3-2-4-11(13)12(9)14/h2-4,10H,5-7H2,1H3
InChIKey
YAXCUZRSNUQTGL-UHFFFAOYSA-N
Synonyms
N-cyclopropyl-N-(2,3-dichlorobenzyl)acetamide
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide
Acetamide, N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-
Acetamide,N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-
SCHEMBL8171105
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
65.71
TPSA
20.31
LogP / Solubility
WLOGP
3.5
MLOGP
3.09
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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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