![CAS 1179271-04-5 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1179271-04-5.gif)
CAS RN: 1179271-04-5
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-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.20260305 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1179271-04-5
- Purity/Analytical Methods: >99.0%
1179271-04-5 / 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide | MFCD12798902 | EXB27104
Basic Information
CAS
1179271-04-5
Multi CAS
No
Molecular Formula
C12H16ClNO2
Molecular Weight
241.710000
Exact Mass
241.086956
SMILES
CC(C1=CC=CC=C1OC)N(C)C(=O)CCl
InChI
InChI=1S/C12H16ClNO2/c1-9(14(2)12(15)8-13)10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3
InChIKey
FNPUQTZECOTDQY-UHFFFAOYSA-N
Synonyms
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
MFCD12798902
EXB27104
NCGC00661080-01
CS-0249941
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
64.9
TPSA
29.54
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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